Geometry & MOs

Info

ID:	5690
PubChem CID:	13494
Reduced:	O4N6C19H22 (1)
Stoich.:	A4B6C19D22 (1)
Weight, g/mol:	398.170253
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	10.71
IP(EA), eV:	-9.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations