Geometry & MOs

Info

ID:	387091
PubChem CID:	134983950
Reduced:	Cl3N6H17C22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	320.086918
ΔH_f, kcal/mol:	134.95
Dipole, Da:	5.09
IP(EA), eV:	-8.76(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-azidocyclopentyl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)N=NN(CCCl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations