Geometry & MOs

Info

ID:

444148

PubChem CID:

135261471

Reduced:

SN7H23C30 (1)

Stoich.:

AB7C23D30 (1)

Weight, g/mol:

425.142265

ΔHf, kcal/mol:

245.6

Dipole, Da:

3.24

IP(EA), eV:

 -8.54(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CS7)/NN4

DOS

IR

Vibrations