Geometry & MOs

Info

ID:	295083
PubChem CID:	117516121
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	3.75
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1CC2CCCN2)Br)OC)OC

DOS

IR

Vibrations