Geometry & MOs

Info

ID:	260255
PubChem CID:	103186795
Reduced:	ClO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	229.061804
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	2.06
IP(EA), eV:	-9.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-methoxypropyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)C1=CN=CC(=N1)Cl

DOS

IR

Vibrations