Geometry & MOs

Info

ID:	172131
PubChem CID:	75470873
Reduced:	SN2O5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	9.48
IP(EA), eV:	-9.45(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(phenoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations