Geometry & MOs

Info

ID:	146127
PubChem CID:	53640172
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	47.56
Dipole, Da:	3.65
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,14-dimethoxyheptadeca-8,10,12-trien-4,6-diyne

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)C2=C(C(=CN=C2)C)N3C=CC=N3

DOS

IR

Vibrations