Geometry & MOs

Info

ID:

137422

PubChem CID:

52206560

Reduced:

FO3N4H23C25 (1)

Stoich.:

AB3C4D23E25 (1)

Weight, g/mol:

462.186732

ΔHf, kcal/mol:

-75.7

Dipole, Da:

5.19

IP(EA), eV:

 -8.72(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R)-9-(3,4-difluorophenyl)-6,6-dimethyl-N-(4-methylphenyl)-8-oxo-1,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C([C@H](N3C(=N2)C(=CN3)C(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)O)C(=O)C1)C

DOS

IR

Vibrations