Geometry & MOs

Info

ID:	194124
PubChem CID:	78487563
Reduced:	N2O4H19C20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	365.150132
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	8.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939589
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC=CC=C3O

DOS

IR

Vibrations