Geometry & MOs

Info

ID:	206717
PubChem CID:	80288623
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	271.133907
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	2.13
IP(EA), eV:	-8.62(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCNC1CCCCCC1C2=CC(=CC=C2)OCC

DOS

IR

Vibrations