Geometry & MOs

Info

ID:	138621
PubChem CID:	52395419
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	330.198166
ΔH_f, kcal/mol:	-53.83
Dipole, Da:	6.54
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-[[2-(methylamino)pyridin-3-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC(=C2)C#N)OCCOC

DOS

IR

Vibrations