Geometry & MOs

Info

ID:	133789
PubChem CID:	51589328
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	6.85
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyclopentyloxyphenyl)methyl-(2-morpholin-4-ylethyl)-(pyridin-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=CC=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations