Geometry & MOs

Info

ID:	324103
PubChem CID:	126676924
Reduced:	BrClPN4O10C26H33 (1)
Stoich.:	ABCD4E10F26G33 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-460.67
Dipole, Da:	5.52
IP(EA), eV:	-9.75(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-(2-methoxyethoxy)phenyl]piperidin-3-yl]methoxy]-N-propylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)OC(=O)[C@H](C(=C)C)N)OC3=CC=CC=C3

DOS

IR

Vibrations