Geometry & MOs

Info

ID:	259045
PubChem CID:	103158081
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	325.10413
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	4.15
IP(EA), eV:	-9.45(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)OCC1CCCCO1)CN

DOS

IR

Vibrations