Geometry & MOs

Info

ID:	51158
PubChem CID:	12013789
Reduced:	O2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	500.235145
ΔH_f, kcal/mol:	-58.99
Dipole, Da:	1.38
IP(EA), eV:	-10.51(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,5S,6S,7R,7aS)-7-benzoyl-7a-hydroxy-4,6-diphenyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@H](C#C)[C@H]([C@H](C)O)O

DOS

IR

Vibrations