Geometry & MOs

Info

ID:	444384
PubChem CID:	135262236
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-113.75
Dipole, Da:	6.91
IP(EA), eV:	-8.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-prop-2-ynoxyethoxy)ethoxymethylbenzene

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=C3C(=C12)C[C@H](CN3C(=O)O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations