Geometry & MOs

Info

ID:	275726
PubChem CID:	103817269
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	253.09819
ΔH_f, kcal/mol:	5.61
Dipole, Da:	4.51
IP(EA), eV:	-9.24(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyrazin-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations