Geometry & MOs

Info

ID:	210609
PubChem CID:	80829987
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	302.171831
ΔH_f, kcal/mol:	-15.61
Dipole, Da:	3.1
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC(COC1)NC2=NC(=NC=C2)N

DOS

IR

Vibrations