Geometry & MOs

Info

ID:

340578

PubChem CID:

127262589

Reduced:

ON2C12H14 (1)

Stoich.:

AB2C12D14 (1)

Weight, g/mol:

430.344695

ΔHf, kcal/mol:

15.53

Dipole, Da:

1.1

IP(EA), eV:

 -9.39(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4-[(2Z)-1-hydroxy-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol

Drug info:

PubChemData

Smile

CC(C1=CN=CO1)NCC2=CC=CC=C2

DOS

IR

Vibrations