Geometry & MOs

Info

ID:	333867
PubChem CID:	127252419
Reduced:	F3N3C12H16 (1)
Stoich.:	A3B3C12D16 (1)
Weight, g/mol:	287.124547
ΔH_f, kcal/mol:	-136.12
Dipole, Da:	3.22
IP(EA), eV:	-8.78(-0.89)
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]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations