Geometry & MOs

Info

ID:	48069
PubChem CID:	10536932
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	4.9
IP(EA), eV:	-9.57(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-ethyl-5-propanoyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1(CCCCC1)CCC#N

DOS

IR

Vibrations