Geometry & MOs

Info

ID:	401322
PubChem CID:	135050917
Reduced:	N4O7H12C13 (1)
Stoich.:	A4B7C12D13 (1)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	4.65
IP(EA), eV:	-10.41(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-nitrophenyl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC3(C(C2=NO1)C(N=N3)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations