Geometry & MOs

Info

ID:

221823

PubChem CID:

85286179

Reduced:

NO8C13H16 (2)

Stoich.:

AB8C13D16 (2)

Weight, g/mol:

628.15868

ΔHf, kcal/mol:

-607.59

Dipole, Da:

3.5

IP(EA), eV:

 -9.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(4-phenylphenyl)methyl]-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one;iodide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)O

DOS

IR

Vibrations