Geometry & MOs

Info

ID:	43820
PubChem CID:	10321834
Reduced:	O2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	456.23006
ΔH_f, kcal/mol:	-273.9
Dipole, Da:	7.37
IP(EA), eV:	-10.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,8-trihydroxy-3,10-dimethyl-6,12-di(propan-2-yl)-12,13-dihydronaphtho[1,2-b]phenanthren-5-one

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C

DOS

IR

Vibrations