Geometry & MOs

Info

ID:	294905
PubChem CID:	117503156
Reduced:	BrNO5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	317.0182
ΔH_f, kcal/mol:	-195.04
Dipole, Da:	4.03
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1C(C(=O)OC)O)Br)O

DOS

IR

Vibrations