Geometry & MOs

Info

ID:

49807

PubChem CID:

11533854

Reduced:

OF3N3C32H32 (1)

Stoich.:

AB3C3D32E32 (1)

Weight, g/mol:

532.181014

ΔHf, kcal/mol:

-115.68

Dipole, Da:

5.72

IP(EA), eV:

 -8.72(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-5-(trifluoromethyl)-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CN(C=C4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations