Geometry & MOs

Info

ID:	324121
PubChem CID:	126676960
Reduced:	NO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	466.206799
ΔH_f, kcal/mol:	-177.81
Dipole, Da:	5.8
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-[(3,5-difluorophenyl)methoxy]phenyl]piperidin-3-yl]methoxy]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCOC2=CC=C(C=C2)[C@@H]3CCNC[C@H]3COC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations