Geometry & MOs

Info

ID:

443169

PubChem CID:

135257952

Reduced:

O2N12C45H56 (1)

Stoich.:

A2B12C45D56 (1)

Weight, g/mol:

421.166938

ΔHf, kcal/mol:

34.29

Dipole, Da:

4.26

IP(EA), eV:

 -7.91(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-4-(dimethylamino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4CC(=O)N(C4=N3)C5CCCC(C5)C6=C(C=CC(=C6)N7CCN(CC7)C)NC8=NC=C9CC(=O)N(C9=N8)C1CCCC1

DOS

IR

Vibrations