Geometry & MOs

Info

ID:

313423

PubChem CID:

126614644

Reduced:

Cl2O2N4C19H19 (2)

Stoich.:

A2B2C4D19E19 (2)

Weight, g/mol:

308.116092

ΔHf, kcal/mol:

-10.61

Dipole, Da:

5.09

IP(EA), eV:

 -8.89(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12aS)-9-hydroxy-8-methoxy-12-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C/C(=N\N)/C2=CC(=C(C=C2)C(=O)C3=CC(=C(N3C4=C(NC(=C4Cl)Cl)C(=O)C5=C(C=C(C=C5)/C(=N/N)/C=NC6CCCCC6)O)Cl)Cl)O

DOS

IR

Vibrations