Geometry & MOs

Info

ID:	197397
PubChem CID:	78962046
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	251.026168
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	4.33
IP(EA), eV:	-8.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)-6-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)CCSC1=CC=CC=C1

DOS

IR

Vibrations