Geometry & MOs

Info

ID:	123434
PubChem CID:	50847195
Reduced:	OF3N3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	406.107517
ΔH_f, kcal/mol:	-113.75
Dipole, Da:	6.42
IP(EA), eV:	-9.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-piperidin-1-yl-N-(3,4,5-trifluorophenyl)thieno[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=NN2)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations