Geometry & MOs

Info

ID:	51643
PubChem CID:	12014348
Reduced:	H4C7 (4)
Stoich.:	A4B7 (4)
Weight, g/mol:	472.167459
ΔH_f, kcal/mol:	223.85
Dipole, Da:	0.01
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,12,15,24-tetramethoxypentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaen-7,19-diyne

Drug info:

PubChemData

Smile

C1=CC2=CC(=C1)C3=CC=CC(=C3)C#CC4=CC(=CC=C4)C5=CC=CC(=C5)C#C2

DOS

IR

Vibrations