Geometry & MOs

Info

ID:

449628

PubChem CID:

135300147

Reduced:

Cl2O4N7H23C28 (1)

Stoich.:

A2B4C7D23E28 (1)

Weight, g/mol:

607.363474

ΔHf, kcal/mol:

-12.44

Dipole, Da:

2.88

IP(EA), eV:

 -8.9(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-cyclobutyloxy-6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazoline

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations