Geometry & MOs

Info

ID:	247599
PubChem CID:	103072362
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	88.8
Dipole, Da:	8.61
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=NC(=N1)C#N

DOS

IR

Vibrations