Geometry & MOs

Info

ID:	167495
PubChem CID:	74836212
Reduced:	ON4C31H36 (1)
Stoich.:	AB4C31D36 (1)
Weight, g/mol:	490.273262
ΔH_f, kcal/mol:	45.73
Dipole, Da:	1.88
IP(EA), eV:	-8.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-diphenylpiperidin-1-yl)-[4-[2-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C(CC1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CNCC4C5=CC=CC=C5C6CNNC6

DOS

IR

Vibrations