Geometry & MOs

Info

ID:	158875
PubChem CID:	57244124
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	338.084035
ΔH_f, kcal/mol:	-168.93
Dipole, Da:	1.96
IP(EA), eV:	-9.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,3-dichlorophenyl)-4-phenylmethoxypentan-3-ol

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCCN1C(=O)OOC(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations