Geometry & MOs

Info

ID:	307236
PubChem CID:	125292642
Reduced:	NO2C11H13 (3)
Stoich.:	AB2C11D13 (3)
Weight, g/mol:	289.101526
ΔH_f, kcal/mol:	-169.15
Dipole, Da:	13.7
IP(EA), eV:	-8.44(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]quinoline

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC1=CC=CC=C1)NC2=CC=C3C(=CC2=O)[C@@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations