Geometry & MOs

Info

ID:	267174
PubChem CID:	103581169
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	1.58
IP(EA), eV:	-8.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethyloxolan-3-yl)amino]-1-(4-methylsulfonylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC(COC2=CC=CC(=C2)OC)O

DOS

IR

Vibrations