Geometry & MOs

Info

ID:	391770
PubChem CID:	135009370
Reduced:	OC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	304.125201
ΔH_f, kcal/mol:	6.24
Dipole, Da:	5.17
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,16Z)-tetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),2,4(24),5,7,11,13,15(23),16,18,20-undecaen-9-yne

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C#CC2=CC=C(C=C2)OC)CC)C=O

DOS

IR

Vibrations