Geometry & MOs

Info

ID:	259053
PubChem CID:	103158102
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	2.67
IP(EA), eV:	-9.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)OC1CCCC2=CC=CC=C12)CN

DOS

IR

Vibrations