Geometry & MOs

Info

ID:	414566
PubChem CID:	135087525
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-94.52
Dipole, Da:	5.26
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C)NC(=O)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations