Geometry & MOs

Info

ID:	216950
PubChem CID:	85087025
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	4.92
IP(EA), eV:	-9.5(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)O)C

DOS

IR

Vibrations