Geometry & MOs

Info

ID:	68272
PubChem CID:	46508092
Reduced:	Cl3N3O3H14C19 (1)
Stoich.:	A3B3C3D14E19 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	3.32
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations