Geometry & MOs

Info

ID:	204395
PubChem CID:	79959292
Reduced:	F3N3C15H26 (1)
Stoich.:	A3B3C15D26 (1)
Weight, g/mol:	303.192232
ΔH_f, kcal/mol:	-172.11
Dipole, Da:	4.31
IP(EA), eV:	-9.22(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCC(F)(F)F)CC1=CC(=NN1CC)CC

DOS

IR

Vibrations