Geometry & MOs

Info

ID:	43477
PubChem CID:	10321361
Reduced:	SO6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	446.236956
ΔH_f, kcal/mol:	-217.55
Dipole, Da:	5.81
IP(EA), eV:	-8.9(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations