Geometry & MOs

Info

ID:	30825
PubChem CID:	841975
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	273.946746
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	2.64
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2,2-dichloro-1-cyanoethenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

DOS

IR

Vibrations