Geometry & MOs

Info

ID:	397223
PubChem CID:	135029908
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	386.022498
ΔH_f, kcal/mol:	120.89
Dipole, Da:	8.61
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-(4-nitrophenyl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=CC=C2)/N(/C(=C\[N+](=O)[O-])/N1)CC#CC3=CC=CC=C3

DOS

IR

Vibrations