Geometry & MOs

Info

ID:	232670
PubChem CID:	87576682
Reduced:	BrSiO2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	553.118473
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753230
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2,4-dioxo-N-[[2-(trifluoromethoxy)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]methyl]-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(CCCC(=O)C(C)(C)Br)O[Si](C)C

DOS

IR

Vibrations