Geometry & MOs

Info

ID:	166418
PubChem CID:	74686848
Reduced:	FON2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	116.107539
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	5.67
IP(EA), eV:	-9.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

azepan-1-ium-4-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)F)C(=O)CC(C2)(C)C

DOS

IR

Vibrations