Geometry & MOs

Info

ID:	260257
PubChem CID:	103186824
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	3.98
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-pentan-3-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations