Geometry & MOs

Info

ID:	398416
PubChem CID:	135033185
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	3.02
IP(EA), eV:	-9.67(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,4bS,8aS,10aS)-2,4b,8,8-tetramethyl-3-oxo-1,2,4,5,6,7,8a,9,10,10a-decahydrophenanthren-4a-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1C[C@@H]2CC[C@@H]3[C@@]([C@]24CC([C@@H]4C1=O)O)(CCCC3(C)C)C

DOS

IR

Vibrations