Geometry & MOs

Info

ID:	165649
PubChem CID:	74579871
Reduced:	PO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	334.144319
ΔH_f, kcal/mol:	-191.51
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.092374
Charge, e:	-1

Chem-info

IUPAC name:

6-(benzhydrylcarbamoyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)P(=O)(C(C2=CC=CC=C2)O)[O-]

DOS

IR

Vibrations