Geometry & MOs

Info

ID:

449724

PubChem CID:

135300957

Reduced:

ON8C27H38 (1)

Stoich.:

AB8C27D38 (1)

Weight, g/mol:

616.26857

ΔHf, kcal/mol:

55.09

Dipole, Da:

5.41

IP(EA), eV:

 -8.12(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12aS)-9-[3-[[(12aS)-8-methoxy-12a,13-dihydro-6H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]propoxy]-8-methoxy-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1CC2CC2)C3=CN=C(C=C3)NC4=NC=C5C=C6C(NCCCCCCN6C5=N4)O

DOS

IR

Vibrations