Geometry & MOs

Info

ID:	282882
PubChem CID:	103943434
Reduced:	OCl2N3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	302.04582
ΔH_f, kcal/mol:	17.9
Dipole, Da:	0.73
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-(3-chloropyridin-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C2=NC=C(C=C2)Cl)Cl

DOS

IR

Vibrations