Geometry & MOs

Info

ID:	254042
PubChem CID:	103122376
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	2.94
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloropiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)Cl

DOS

IR

Vibrations