Geometry & MOs

Info

ID:	435151
PubChem CID:	135182123
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	4.52
IP(EA), eV:	-9.23(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(COCC1=CC=CC=C1)([C@@H](CN2C=CC=N2)N)F

DOS

IR

Vibrations