Geometry & MOs

Info

ID:	252919
PubChem CID:	103114945
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	34.12
Dipole, Da:	3.45
IP(EA), eV:	-10.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations