Geometry & MOs

Info

ID:	77054
PubChem CID:	48425755
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	5.35
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=NN1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations