Geometry & MOs

Info

ID:	143819
PubChem CID:	53266947
Reduced:	NCl2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	374.00662
ΔH_f, kcal/mol:	-120.71
Dipole, Da:	5.71
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromo-2-fluorophenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC(C)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations