Geometry & MOs

Info

ID:	260269
PubChem CID:	103187280
Reduced:	ClOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	255.077454
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	3.19
IP(EA), eV:	-8.87(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-hydroxycyclohexyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(SC1)CNC(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations