Geometry & MOs

Info

ID:	252133
PubChem CID:	103109368
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	3.36
IP(EA), eV:	-9.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(CC2)N

DOS

IR

Vibrations