Geometry & MOs

Info

ID:	268304
PubChem CID:	103598819
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	6.97
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[4-(2-oxopyridin-1-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)NCCCCN2C=CC=CC2=O)Cl

DOS

IR

Vibrations