Geometry & MOs

Info

ID:	22314
PubChem CID:	596626
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	6.61
IP(EA), eV:	-9.81(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NCCN)N)[N+](=O)[O-]

DOS

IR

Vibrations