Geometry & MOs

Info

ID:	270449
PubChem CID:	103636639
Reduced:	ClFON4H8C14 (1)
Stoich.:	ABCD4E8F14 (1)
Weight, g/mol:	310.99055
ΔH_f, kcal/mol:	17.8
Dipole, Da:	3.06
IP(EA), eV:	-9.69(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(cyanomethyl)-N-ethyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=N2)Cl)NC(=O)C3=CC(=NC=C3)F

DOS

IR

Vibrations