Geometry & MOs

Info

ID:	324104
PubChem CID:	126676925
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	448.216221
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	4.12
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCCOC

DOS

IR

Vibrations