Geometry & MOs

Info

ID:	152269
PubChem CID:	56311165
Reduced:	FON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	387.186815
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	3.67
IP(EA), eV:	-8.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(benzenesulfonyl)propyl]-4-[(4-methoxyphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3F

DOS

IR

Vibrations