Geometry & MOs

Info

ID:	55051
PubChem CID:	17389703
Reduced:	NCl2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	4.96
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4,5-dimethoxyphenyl)azepane

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2CCCCCN2)Cl)OC.Cl

DOS

IR

Vibrations