Geometry & MOs

Info

ID:	252891
PubChem CID:	103114805
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	5.84
IP(EA), eV:	-9.8(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylcarbamoyl)-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC(=O)NCC2CC2

DOS

IR

Vibrations