Geometry & MOs

Info

ID:	15197
PubChem CID:	432946
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	3.62
IP(EA), eV:	-8.56(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O

DOS

IR

Vibrations