Geometry & MOs

Info

ID:	164054
PubChem CID:	74381691
Reduced:	Cl2N2O2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	434.94049
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	1.74
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethyl]-3-(6-bromopyridin-2-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)NC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N

DOS

IR

Vibrations