Geometry & MOs

Info

ID:	437265
PubChem CID:	135220434
Reduced:	O2N7C23H31 (1)
Stoich.:	A2B7C23D31 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	6.53
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(2-methylpropanoyl)pyridin-2-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)N4CCCC(C4)O)C(=O)N)C=N

DOS

IR

Vibrations