Geometry & MOs

Info

ID:	22356
PubChem CID:	596915
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	5.55
IP(EA), eV:	-9.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(2-methylpropyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations