Geometry & MOs

Info

ID:	189812
PubChem CID:	77907159
Reduced:	ON2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	456.360345
ΔH_f, kcal/mol:	3.21
Dipole, Da:	2.98
IP(EA), eV:	-8.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)N3C4=CC=CC=C4CC(C5=CC=CC=C53)O

DOS

IR

Vibrations