Geometry & MOs

Info

ID:	203767
PubChem CID:	79867768
Reduced:	F3N3C12H16 (1)
Stoich.:	A3B3C12D16 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	3.36
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations