Geometry & MOs

Info

ID:	168263
PubChem CID:	74942162
Reduced:	O2C17H27 (2)
Stoich.:	A2B17C27 (2)
Weight, g/mol:	498.407296
ΔH_f, kcal/mol:	-238.11
Dipole, Da:	3.68
IP(EA), eV:	-8.68(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OC1CC(C2CCC3(C(C2(C1)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C

DOS

IR

Vibrations