Geometry & MOs

Info

ID:	3757
PubChem CID:	10117
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	5.0
IP(EA), eV:	-8.28(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C

DOS

IR

Vibrations