Geometry & MOs

Info

ID:	270204
PubChem CID:	103634183
Reduced:	ClON3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	307.054611
ΔH_f, kcal/mol:	48.24
Dipole, Da:	4.5
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=CN=C3Cl

DOS

IR

Vibrations