Geometry & MOs

Info

ID:

59012

PubChem CID:

24770292

Reduced:

N2O9C24H26 (1)

Stoich.:

A2B9C24D26 (1)

Weight, g/mol:

440.23246

ΔHf, kcal/mol:

-169.5

Dipole, Da:

4.13

IP(EA), eV:

 -8.64(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@@H]([C@@]23CC[C@]14[C@@]5([C@H]2N(CC5)C[C@H]6[C@@H]3O6)C7=C(N4C(=O)OC)C8=C(C=C7)OCO8)O)O

DOS

IR

Vibrations