Geometry & MOs

Info

ID:	254047
PubChem CID:	103122390
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	229.09819
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	2.61
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations