Geometry & MOs

Info

ID:	282051
PubChem CID:	103914802
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	6.2
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC(COC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations