Geometry & MOs

Info

ID:	58401
PubChem CID:	24698206
Reduced:	FOSN2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	3.29
IP(EA), eV:	-8.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-6-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)C(=S)N

DOS

IR

Vibrations