Geometry & MOs

Info

ID:	55040
PubChem CID:	17389692
Reduced:	NOCl2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	5.16
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methoxyphenyl)azepane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations