Geometry & MOs

Info

ID:

334388

PubChem CID:

127252940

Reduced:

ClNO7H24C25 (1)

Stoich.:

ABC7D24E25 (1)

Weight, g/mol:

436.258674

ΔHf, kcal/mol:

-216.41

Dipole, Da:

3.58

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations