Geometry & MOs

Info

ID:	210420
PubChem CID:	80804242
Reduced:	O3N5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	283.156373
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	3.74
IP(EA), eV:	-9.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NC(CC)(CC)CO)[N+](=O)[O-]

DOS

IR

Vibrations