Geometry & MOs

Info

ID:	394560
PubChem CID:	135023230
Reduced:	O2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	276.11503
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	0.96
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methoxy-3-phenylprop-2-ynoxy)prop-1-ynylbenzene

Drug info:

PubChemData

Smile

COC1C2=C(C3=CC=CC=C3C=C2CO1)C4=CC=CC=C4

DOS

IR

Vibrations