Geometry & MOs

Info

ID:

449920

PubChem CID:

135302549

Reduced:

O3N8H26C29 (1)

Stoich.:

A3B8C26D29 (1)

Weight, g/mol:

528.230997

ΔHf, kcal/mol:

99.33

Dipole, Da:

12.07

IP(EA), eV:

 -8.3(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]imidazo[4,5-c]pyridin-4-amine

Drug info:

PubChemData

Smile

CCCCC(NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=CN=C(C5=N4)C6=CC7=C(C=C6)OCO7)O

DOS

IR

Vibrations