Geometry & MOs

Info

ID:	393747
PubChem CID:	135021593
Reduced:	O5C24H26 (1)
Stoich.:	A5B24C26 (1)
Weight, g/mol:	322.120509
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	1.48
IP(EA), eV:	-8.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxy-2,5-bis(3-prop-2-ynoxyprop-1-ynyl)benzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=CC=CC=C21)OC)CC3=COC=C3/C=C/OC4CCCCO4

DOS

IR

Vibrations