Geometry & MOs

Info

ID:	194123
PubChem CID:	78487430
Reduced:	ClO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	351.134482
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	6.56
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl

DOS

IR

Vibrations