Geometry & MOs

Info

ID:	261639
PubChem CID:	103243062
Reduced:	NO3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	4.44
IP(EA), eV:	-9.94(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-(4-nitrophenyl)ethylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC(C(C)C)C(=O)O

DOS

IR

Vibrations