Geometry & MOs

Info

ID:	62439
PubChem CID:	26719721
Reduced:	SN2O3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	296.011933
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	3.9
IP(EA), eV:	-8.14(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(4-methoxyphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CC/C(=C/C2=CC=CO2)/C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations