Geometry & MOs

Info

ID:	161164
PubChem CID:	57390934
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-211.89
Dipole, Da:	4.01
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3bR,5aS,6S,9aS,9bR)-3b,6,9a-trimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=O)C(=O)[C@@H]3[C@@]([C@]2(CC[C@]1(C)C=C)O)(CCCC3(C)C)C(=O)OC

DOS

IR

Vibrations