Geometry & MOs

Info

ID:	33022
PubChem CID:	7850365
Reduced:	FN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	5.55
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations