Geometry & MOs

Info

ID:	4002
PubChem CID:	10569
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	2.5
IP(EA), eV:	-8.59(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C

DOS

IR

Vibrations