Geometry & MOs

Info

ID:	16574
PubChem CID:	473081
Reduced:	NC15H18 (2)
Stoich.:	AB15C18 (2)
Weight, g/mol:	424.287849
ΔH_f, kcal/mol:	56.03
Dipole, Da:	1.56
IP(EA), eV:	-8.5(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-[[(3S,4S)-4-phenyl-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)C5=CC=CC=C5

DOS

IR

Vibrations