Geometry & MOs

Info

ID:	275714
PubChem CID:	103817225
Reduced:	ClN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	308.140389
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	4.0
IP(EA), eV:	-9.93(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyrazin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations