Geometry & MOs

Info

ID:	17109
PubChem CID:	484452
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	2.18
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bR,8aS)-4b-(hydroxymethyl)-8,8-dimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC2=C1C=C[C@@H]3[C@@]2(CCCC3(C)C)CO)O

DOS

IR

Vibrations