Geometry & MOs

Info

ID:	324111
PubChem CID:	126676938
Reduced:	FN2O4C31H37 (1)
Stoich.:	AB2C4D31E37 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	3.62
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-[2-(4-cyanophenyl)ethoxy]phenyl]piperidin-3-yl]methoxy]-N-methylbenzamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F

DOS

IR

Vibrations