Geometry & MOs

Info

ID:

446652

PubChem CID:

135276666

Reduced:

ClN3O4C22H22 (1)

Stoich.:

AB3C4D22E22 (1)

Weight, g/mol:

477.202556

ΔHf, kcal/mol:

-33.92

Dipole, Da:

5.85

IP(EA), eV:

 -9.4(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[[5-[(3Z)-3-[4-(4-methylimidazol-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1COC(CC1NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])Cl)COCC4=CC=CC=C4

DOS

IR

Vibrations