Geometry & MOs

Info

ID:	84997
PubChem CID:	49871242
Reduced:	IOSiC10H23 (1)
Stoich.:	ABCD10E23 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	1.72
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aS,9R,10aR)-9-methoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCO[Si](C)(C)C(C)(C)C)I

DOS

IR

Vibrations