Geometry & MOs

Info

ID:	379543
PubChem CID:	134442833
Reduced:	NO2F3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	520.146857
ΔH_f, kcal/mol:	-224.29
Dipole, Da:	3.83
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,2-difluoro-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(N1)C2=CC=CC=C2C(F)(F)F)C3CCCC3

DOS

IR

Vibrations