Geometry & MOs

Info

ID:	341073
PubChem CID:	127263508
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	467.13775
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	6.98
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)ethyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

C1CNCCC1N2C(COC2=O)C3=CC=CC=C3.Cl

DOS

IR

Vibrations