Geometry & MOs

Info

ID:	375013
PubChem CID:	131465185
Reduced:	OF3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	235.093247
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	7.45
IP(EA), eV:	-10.21(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminopropan-2-yl)-5-methyl-2-(trifluoromethyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(=NC(=O)C1)C(F)(F)F)N

DOS

IR

Vibrations