Geometry & MOs

Info

ID:	252137
PubChem CID:	103109399
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	1.96
IP(EA), eV:	-9.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(COCC2N)C

DOS

IR

Vibrations