Geometry & MOs

Info

ID:	259051
PubChem CID:	103158100
Reduced:	NO4C10H21 (1)
Stoich.:	AB4C10D21 (1)
Weight, g/mol:	325.10413
ΔH_f, kcal/mol:	-197.42
Dipole, Da:	2.97
IP(EA), eV:	-9.75(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCOC(=O)CC(CN)OC

DOS

IR

Vibrations