Geometry & MOs

Info

ID:	250124
PubChem CID:	103094316
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	273.06689
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	2.39
IP(EA), eV:	-9.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-aminophenyl)-N-(3-chloropyridin-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCC1(C(=O)NC2=C(C=CC=N2)Cl)N

DOS

IR

Vibrations