Geometry & MOs

Info

ID:	43682
PubChem CID:	10321641
Reduced:	ON2C31H36 (1)
Stoich.:	AB2C31D36 (1)
Weight, g/mol:	452.329045
ΔH_f, kcal/mol:	14.7
Dipole, Da:	3.43
IP(EA), eV:	-8.17(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6aR,6aS,6bR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)N(C1)CC5=CC=CC=C5

DOS

IR

Vibrations