Geometry & MOs

Info

ID:	21126
PubChem CID:	587303
Reduced:	Cl2N3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	367.049047
ΔH_f, kcal/mol:	-26.62
Dipole, Da:	6.73
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(4-chloro-2-nitroanilino)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations