Geometry & MOs

Info

ID:	232795
PubChem CID:	87577037
Reduced:	BrO3N4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	344.151622
ΔH_f, kcal/mol:	-16.24
Dipole, Da:	6.17
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4H-imidazo[1,5-a]pyrazin-4-ium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[N+](C2=C(C1)C=C(C=N2)Br)(C(CN(C)C)N(C)C)[O-]

DOS

IR

Vibrations