Geometry & MOs

Info

ID:	405106
PubChem CID:	135072529
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	349.02146
ΔH_f, kcal/mol:	-204.42
Dipole, Da:	5.04
IP(EA), eV:	-8.79(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-phenylpyrazol-1-yl)quinoline

Drug info:

PubChemData

Smile

CCOC1=CC(=O)C(CC1)(CC2=CC=C(C=C2)OC)CC(=O)OCC

DOS

IR

Vibrations