Geometry & MOs

Info

ID:	296206
PubChem CID:	117560750
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	63.12
Dipole, Da:	6.33
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC(=NC(=C2)C#N)C

DOS

IR

Vibrations