Geometry & MOs

Info

ID:	166301
PubChem CID:	74667135
Reduced:	NO2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	169.095258
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	3.34
IP(EA), eV:	-9.97(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(trifluoromethyl)-1,4-diazepan-1-ium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C=N2)C(=O)NCC(=O)O

DOS

IR

Vibrations