Geometry & MOs

Info

ID:	333870
PubChem CID:	127252422
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	316.151096
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	7.6
IP(EA), eV:	-9.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1-[2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)C2(CCCN2CC(=O)N)C

DOS

IR

Vibrations