Geometry & MOs

Info

ID:

433477

PubChem CID:

135173614

Reduced:

IO4N8H37C40 (1)

Stoich.:

AB4C8D37E40 (1)

Weight, g/mol:

734.332902

ΔHf, kcal/mol:

21.52

Dipole, Da:

4.84

IP(EA), eV:

 -8.52(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-formyl-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)N6C=C(C(=N6)C(=C)/C=C\N)C7=CC8=C(C=C7)/C(=N/I)/CC8

DOS

IR

Vibrations