Geometry & MOs

Info

ID:	186106
PubChem CID:	77390830
Reduced:	ClFON4C32H32 (1)
Stoich.:	ABCD4E32F32 (1)
Weight, g/mol:	551.249667
ΔH_f, kcal/mol:	14.02
Dipole, Da:	4.77
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[[4-[2-(4-fluorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N4CCC(C4)C5=CC=CC=C5)CC6=CC=CC=C6F

DOS

IR

Vibrations