Geometry & MOs

Info

ID:

191645

PubChem CID:

78172798

Reduced:

ClN3O4C17H26 (1)

Stoich.:

AB3C4D17E26 (1)

Weight, g/mol:

672.341067

ΔHf, kcal/mol:

-204.41

Dipole, Da:

6.35

IP(EA), eV:

 -8.97(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,11-dimethoxy-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-14-one;3-octan-2-ylphthalic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CCNCC(COC2=CC=CC=C2C)O.Cl

DOS

IR

Vibrations