Geometry & MOs

Info

ID:	143503
PubChem CID:	53217863
Reduced:	NOH11C15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	19.39
Dipole, Da:	3.92
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC=CNC3=O

DOS

IR

Vibrations