Geometry & MOs

Info

ID:	30287
PubChem CID:	841090
Reduced:	ClO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	7.34
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-nitro-N-[(1S)-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations