Geometry & MOs

Info

ID:

315559

PubChem CID:

126627642

Reduced:

N3H21C29 (2)

Stoich.:

A3B21C29 (2)

Weight, g/mol:

302.149124

ΔHf, kcal/mol:

280.38

Dipole, Da:

3.02

IP(EA), eV:

 -8.17(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-4-[(5-methoxy-6-propan-2-ylpyridin-2-yl)amino]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(NC(N=C1C2=CC(=CC=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations