Geometry & MOs

Info

ID:	318634
PubChem CID:	126652503
Reduced:	ClN2O3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	4.58
IP(EA), eV:	-8.97(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidin-1-yl]piperidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2C[C@H](CC2CC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations