Geometry & MOs

Info

ID:	55367
PubChem CID:	17395297
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	2.08
IP(EA), eV:	-8.97(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations