Geometry & MOs

Info

ID:	156315
PubChem CID:	56370060
Reduced:	ClO2F3N3H13C18 (1)
Stoich.:	AB2C3D3E13F18 (1)
Weight, g/mol:	387.037046
ΔH_f, kcal/mol:	-160.65
Dipole, Da:	5.44
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl)C(F)(F)F

DOS

IR

Vibrations