Geometry & MOs

Info

ID:	139478
PubChem CID:	52539396
Reduced:	F3N3C16H18 (1)
Stoich.:	A3B3C16D18 (1)
Weight, g/mol:	309.145282
ΔH_f, kcal/mol:	-115.9
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)N(C)C2=NC=CC(=N2)C(F)(F)F)C

DOS

IR

Vibrations