Geometry & MOs

Info

ID:

192217

PubChem CID:

78247115

Reduced:

ON2F4H6C10 (2)

Stoich.:

AB2C4D6E10 (2)

Weight, g/mol:

555.150522

ΔHf, kcal/mol:

-405.6

Dipole, Da:

6.12

IP(EA), eV:

 -9.5(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-6,8a-dihydro-4aH-pyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3C(C(=O)NC(=O)N3C4=CC=C(C=C4)F)C(N2)(C(F)(F)F)C(F)(F)F)F

DOS

IR

Vibrations