Geometry & MOs

Info

ID:	272184
PubChem CID:	103734023
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	297.088019
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	4.41
IP(EA), eV:	-10.28(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-nitropyridin-4-yl)-(2,5-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl

DOS

IR

Vibrations