Geometry & MOs

Info

ID:	252892
PubChem CID:	103114806
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	4.48
IP(EA), eV:	-10.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-[(2-methyl-3-nitrophenyl)methylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations