Geometry & MOs

Info

ID:

127115

PubChem CID:

50991148

Reduced:

F3O3N5C27H30 (1)

Stoich.:

A3B3C5D27E30 (1)

Weight, g/mol:

543.245724

ΔHf, kcal/mol:

-233.16

Dipole, Da:

8.92

IP(EA), eV:

 -9.41(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-6-methyl-N-[4-(propanoylamino)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)C(F)(F)F)OCC4CC4)C(=O)NC5CCC(CC5)NC(=O)C

DOS

IR

Vibrations