Geometry & MOs

Info

ID:

439489

PubChem CID:

135229263

Reduced:

N2O10C91H178 (1)

Stoich.:

A2B10C91D178 (1)

Weight, g/mol:

755.408693

ΔHf, kcal/mol:

-820.18

Dipole, Da:

10.35

IP(EA), eV:

 -8.71(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2,2-bis(1-ethyl-2-methylindol-3-yl)ethyl]-3-[4-(diethylamino)-2-[(4-ethenylphenyl)methoxy]phenyl]-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCCCC)CC(CCCC)CCCCCCC(CCCCCCCC)C(=O)OCCCCN(CCCCOC(=O)C(CCCCCC)CCCCCCCC)CCO)CCCCCO

DOS

IR

Vibrations