Geometry & MOs

Info

ID:	313558
PubChem CID:	126615882
Reduced:	N2O7C49H58 (1)
Stoich.:	A2B7C49D58 (1)
Weight, g/mol:	334.112267
ΔH_f, kcal/mol:	-262.12
Dipole, Da:	7.41
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethylbenzoyl)-2-phenylphosphanylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)/C=C/CC2CCOCC2)C3=CC4=C(CN(CC4)C(=O)OCC5=CC=CC=C5)C=C3)C6=CC7=C(C=C6)OCCC7)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations