Geometry & MOs

Info

ID:

170294

PubChem CID:

75214676

Reduced:

ON2C11H12 (2)

Stoich.:

AB2C11D12 (2)

Weight, g/mol:

1438.068347

ΔHf, kcal/mol:

31.16

Dipole, Da:

6.03

IP(EA), eV:

 -8.87(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid;4-[18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol;2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Drug info:

PubChemData

Smile

CN1CCCC(C1)N2C3=CC=CC=C3N=C2C4=CC=CC(=C4)C=CC(=O)NO

DOS

IR

Vibrations