Geometry & MOs

Info

ID:	151300
PubChem CID:	53801024
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	208.094688
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	2.06
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl] acetate

Drug info:

PubChemData

Smile

C1CN(CCN1)CCOC2=CC3=C(C=C2)OC=C3

DOS

IR

Vibrations