Geometry & MOs

Info

ID:	254116
PubChem CID:	103122824
Reduced:	ClON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	1.01
Dipole, Da:	1.97
IP(EA), eV:	-9.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorocycloheptyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)Cl)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations