Geometry & MOs

Info

ID:	260264
PubChem CID:	103187104
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	304.072703
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	4.99
IP(EA), eV:	-9.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[4-(ethylcarbamoyl)phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNC(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations