Geometry & MOs

Info

ID:	187509
PubChem CID:	77582191
Reduced:	OF2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	415.19838
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methyl]pyrazolidin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(CCN)N1CCC(CC1)C(C2=CC=C(C=C2)OC(F)F)(C3=CN=CC=C3)N

DOS

IR

Vibrations