Geometry & MOs

Info

ID:	27461
PubChem CID:	821447
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	3.76
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,8R,9R,10R,12R,13S)-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-8,13-diol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C2C(=C1)CC(=O)[C@H]3[C@@]2(CCCC3(C)C)C)O)O

DOS

IR

Vibrations