Geometry & MOs

Info

ID:	294996
PubChem CID:	117511194
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	4.03
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CNCC(=O)C1=C2C(=CC(=C1OC)Br)OCCCO2

DOS

IR

Vibrations