Geometry & MOs

Info

ID:	125744
PubChem CID:	50936588
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	6.5
IP(EA), eV:	-9.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methoxymethoxy)-1-phenylbut-2-yn-1-ol

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations