Geometry & MOs

Info

ID:	152377
PubChem CID:	56311292
Reduced:	FSO3N4C22H29 (1)
Stoich.:	ABC3D4E22F29 (1)
Weight, g/mol:	422.256943
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	3.96
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations