Geometry & MOs

Info

ID:	254040
PubChem CID:	103122374
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	215.08254
ΔH_f, kcal/mol:	3.92
Dipole, Da:	2.04
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-N-ethyl-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCCl)C(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations