Geometry & MOs

Info

ID:

170391

PubChem CID:

75226579

Reduced:

NO9C29H45 (1)

Stoich.:

AB9C29D45 (1)

Weight, g/mol:

455.10929

ΔHf, kcal/mol:

-417.25

Dipole, Da:

6.97

IP(EA), eV:

 -8.84(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-oxo-10-[5-(trifluoromethyl)-1H-indole-2-carbonyl]-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C)CCCC(=CCCC(=CCCC1=CCN(C1=O)CC(=O)O)C)C)(C(C)(C(=O)O)O)O

DOS

IR

Vibrations