Geometry & MOs

Info

ID:	275737
PubChem CID:	103817333
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	264.077789
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	4.28
IP(EA), eV:	-9.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(cyanomethyl)-N-cyclopentylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CC)NC(=O)C1=C(C=C(N=C1)C)Cl

DOS

IR

Vibrations