Geometry & MOs

Info

ID:

308869

PubChem CID:

126531697

Reduced:

N8H22C23 (1)

Stoich.:

A8B22C23 (1)

Weight, g/mol:

532.244756

ΔHf, kcal/mol:

184.78

Dipole, Da:

6.17

IP(EA), eV:

 -8.16(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-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]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)N6CCCCC6

DOS

IR

Vibrations