Geometry & MOs

Info

ID:	189238
PubChem CID:	77831152
Reduced:	N2O6C20H21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	461.127297
ΔH_f, kcal/mol:	-141.72
Dipole, Da:	8.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028722
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(naphthalene-1-carbonylamino)hexanoic acid;3,4-dichloroaniline

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations