Geometry & MOs

Info

ID:	27460
PubChem CID:	821446
Reduced:	O6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	8.25
IP(EA), eV:	-8.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aR)-3,4-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one

Drug info:

PubChemData

Smile

C[C@H]1C=C2C3=C(C[C@H](C[C@H]3[C@]14C[C@@H](OC4=O)C5=COC=C5)O)C(=O)O2

DOS

IR

Vibrations