Geometry & MOs

Info

ID:	126093
PubChem CID:	50950970
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	2.65
IP(EA), eV:	-8.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-(1H-imidazol-2-ylmethyl)-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CO1)C(=O)CCC2=NC(=NN2)N

DOS

IR

Vibrations