Geometry & MOs

Info

ID:	328557
PubChem CID:	126724523
Reduced:	F3N3C16H24 (1)
Stoich.:	A3B3C16D24 (1)
Weight, g/mol:	294.187818
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	3.91
IP(EA), eV:	-8.53(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylsulfanylethyl)piperidin-4-yl]-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1C(C)(C)C)NC2CCN(C2)CC(F)(F)F

DOS

IR

Vibrations