Geometry & MOs

Info

ID:	385088
PubChem CID:	134978292
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	308.156501
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	3.03
IP(EA), eV:	-9.14(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,12Z,16Z)-pentacyclo[16.4.1.16,11.03,15.04,14]tetracosa-1(22),2,4,6,8,10,12,16,18,20-decaene

Drug info:

PubChemData

Smile

CCC[C@H]1C=C/C(=C\C)/[C@H]([C@H]1C(=O)OC)C(=O)OC

DOS

IR

Vibrations