Geometry & MOs

Info

ID:

444136

PubChem CID:

135261439

Reduced:

OSN8H26C29 (1)

Stoich.:

ABC8D26E29 (1)

Weight, g/mol:

479.164063

ΔHf, kcal/mol:

162.41

Dipole, Da:

9.27

IP(EA), eV:

 -8.59(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CSC=C7)/NN4

DOS

IR

Vibrations