Geometry & MOs

Info

ID:	228205
PubChem CID:	87563662
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	525.159944
ΔH_f, kcal/mol:	41.6
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1C=O)SC2=CC=CC=N2

DOS

IR

Vibrations