Geometry & MOs

Info

ID:	64215
PubChem CID:	29198537
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	8.31
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations