Geometry & MOs

Info

ID:	441926
PubChem CID:	135246732
Reduced:	FON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	357.108897
ΔH_f, kcal/mol:	35.51
Dipole, Da:	2.1
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1-benzofuran-7-yl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

CN(CC=C)C1=NC=C(C=N1)CC2=C(C=CC=N2)C3=C(C=C(C=CC3)F)OC

DOS

IR

Vibrations