Geometry & MOs

Info

ID:	133744
PubChem CID:	51585700
Reduced:	N2O3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	411.264768
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.161091
Charge, e:	1

Chem-info

IUPAC name:

4-(4-methylphenyl)-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidin-1-ium-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CC[NH+](CC2)CC3=CC(=C(C=C3)OC)CN4CCOCC4)O

DOS

IR

Vibrations