Geometry & MOs

Info

ID:	128775
PubChem CID:	51057501
Reduced:	ClN2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	357.032334
ΔH_f, kcal/mol:	84.92
Dipole, Da:	8.76
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,5-dichlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C#N)C2=C(C=NC=C2Cl)Cl)C#N

DOS

IR

Vibrations