Geometry & MOs

Info

ID:	275742
PubChem CID:	103817357
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	273.070261
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	6.06
IP(EA), eV:	-9.92(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations