Geometry & MOs

Info

ID:	193922
PubChem CID:	78456784
Reduced:	ClFON3C22H27 (1)
Stoich.:	ABCD3E22F27 (1)
Weight, g/mol:	373.168281
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	4.52
IP(EA), eV:	-8.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methylideneamino]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=C(C=CC=C2Cl)F)CC(CN3C=CC4=CC=CC=C43)O

DOS

IR

Vibrations