Geometry & MOs

Info

ID:	317519
PubChem CID:	126640634
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	227.101839
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	3.44
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-diamino-4-nitrocyclohexa-1,3-dien-1-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCCC(C)N1C2=CC=CC=C2C=C(C1=O)C3=CC=C(C=C3)OCOC(=O)C(=C)C

DOS

IR

Vibrations