Geometry & MOs

Info

ID:	333868
PubChem CID:	127252420
Reduced:	OF3N3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	-184.81
Dipole, Da:	7.57
IP(EA), eV:	-9.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C(=O)C)C)C(F)(F)F

DOS

IR

Vibrations