Geometry & MOs

Info

ID:	275722
PubChem CID:	103817255
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-31.72
Dipole, Da:	5.8
IP(EA), eV:	-9.86(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-5-chloro-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCN2C(=O)C3=C(N=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations