Geometry & MOs

Info

ID:

394667

PubChem CID:

135023469

Reduced:

O2H28C51 (1)

Stoich.:

A2B28C51 (1)

Weight, g/mol:

448.24023

ΔHf, kcal/mol:

817.27

Dipole, Da:

8.09

IP(EA), eV:

 -7.84(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-(5,9,14,15-tetramethyl-2,3-dimethylidene-13-phenyl-13-tetracyclo[8.3.2.04,12.07,11]pentadeca-1(14),4(12),5,7(11),8,10(15)-hexaenyl)butanoate

Drug info:

PubChemData

Smile

COC(=O)CCCC1(C23C14C5=C6CC7=CC8=C9C7=C5C1=C4C4=C5C2C(=CC3=C6)CC2=C5C3=C4C4=C5C6=C3C(=C2)CC6=CC(=C5C9=C41)C8)C1=CC=CC=C1

DOS

IR

Vibrations