Geometry & MOs

Info

ID:

441660

PubChem CID:

135239119

Reduced:

N4H12C13 (2)

Stoich.:

A4B12C13 (2)

Weight, g/mol:

526.193966

ΔHf, kcal/mol:

192.29

Dipole, Da:

4.21

IP(EA), eV:

 -8.58(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(C)C)NN4)/C=C23

DOS

IR

Vibrations