Geometry & MOs

Info

ID:	294326
PubChem CID:	117453247
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	4.96
IP(EA), eV:	-8.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-cyclopentylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1CC(NC1)C2=C(C(=C3CCCC3=C2)Br)O

DOS

IR

Vibrations