Geometry & MOs

Info

ID:	374064
PubChem CID:	131323214
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	236.046489
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	7.31
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6-chloropyrazin-2-yl)amino]methyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1C(=O)O)N2CCCC2CO

DOS

IR

Vibrations