Geometry & MOs

Info

ID:	252146
PubChem CID:	103109426
Reduced:	ClO3N4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	6.0
IP(EA), eV:	-10.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)CN2C(=C(N=N2)C(=O)OCC)CCl

DOS

IR

Vibrations