Geometry & MOs

Info

ID:	77056
PubChem CID:	48425757
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	318.149204
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	6.13
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations