Geometry & MOs

Info

ID:	35667
PubChem CID:	7980172
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-160.15
Dipole, Da:	5.26
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations