Geometry & MOs

Info

ID:	10480
PubChem CID:	102651
Reduced:	N3O3C6H8 (2)
Stoich.:	A3B3C6D8 (2)
Weight, g/mol:	340.113132
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	5.69
IP(EA), eV:	-9.77(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-(2,4-dinitroanilino)pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations