Geometry & MOs

Info

ID:	157032
PubChem CID:	56413039
Reduced:	SN2F3O3C23H31 (1)
Stoich.:	AB2C3D3E23F31 (1)
Weight, g/mol:	427.150761
ΔH_f, kcal/mol:	-294.29
Dipole, Da:	7.77
IP(EA), eV:	-9.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCCCC3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations