Geometry & MOs

Info

ID:	313362
PubChem CID:	126614090
Reduced:	NS3H17C24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	102.031694
ΔH_f, kcal/mol:	92.33
Dipole, Da:	1.89
IP(EA), eV:	-8.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethynoxyethane-1,1-diol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=CC4=C(C=C3S2)C5=C(S4)C=C(C=C5)C6=CC=C(S6)NC

DOS

IR

Vibrations