Geometry & MOs

Info

ID:	206744
PubChem CID:	80295002
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	5.0
IP(EA), eV:	-9.4(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(CCCO)NC(C)CC#N

DOS

IR

Vibrations