Geometry & MOs

Info

ID:	232796
PubChem CID:	87577058
Reduced:	ClN6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	308.174945
ΔH_f, kcal/mol:	187.35
Dipole, Da:	36.39
IP(EA), eV:	-5.98(-4.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]imidazo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCC(CC2)C3=C4C=NC=C[NH+]4C=N3.[Cl-]

DOS

IR

Vibrations