Geometry & MOs

Info

ID:	328231
PubChem CID:	126700205
Reduced:	ClFON4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	6.3
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trimethyl-5-propan-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=C(N=C3N2N=CC=C3)C(=O)NC(C)C)F)Cl

DOS

IR

Vibrations