Geometry & MOs

Info

ID:	333866
PubChem CID:	127252418
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	259.129632
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	2.06
IP(EA), eV:	-9.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dimethylpyrrolidin-2-yl)-4-methyl-6-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)C(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations