Geometry & MOs

Info

ID:	193766
PubChem CID:	78434618
Reduced:	SN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	302.155632
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031834
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-1-phenylethanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CS4

DOS

IR

Vibrations