Geometry & MOs

Info

ID:	55060
PubChem CID:	17389714
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	349.04442
ΔH_f, kcal/mol:	-195.69
Dipole, Da:	2.5
IP(EA), eV:	-8.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4,5-dimethoxyphenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CCCCCN2.C(=O)(C(=O)O)O

DOS

IR

Vibrations