Geometry & MOs

Info

ID:	77053
PubChem CID:	48425754
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-122.97
Dipole, Da:	1.76
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=C(C=C1)OCC2=CN=CC=C2)OCC

DOS

IR

Vibrations