Geometry & MOs

Info

ID:	268212
PubChem CID:	103598419
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	7.76
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1Cl)NC(=O)C=CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations