Geometry & MOs

Info

ID:	323289
PubChem CID:	126674011
Reduced:	OF4N4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	1.78
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-[1-(1H-pyrazol-4-yl)ethyl]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCC(C1NC(=O)C2=CN(C3=C(C=CC(=C23)F)F)CC4=CC(=NC=C4)F)F

DOS

IR

Vibrations