Geometry & MOs

Info

ID:	260263
PubChem CID:	103187076
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3-ethoxyphenyl)methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CN=CC(=N3)Cl

DOS

IR

Vibrations