Geometry & MOs

Info

ID:	193290
PubChem CID:	78370844
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	348.171202
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	7.58
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxy-1-(2-phenylethyl)-3-propyl-5aH-pyrimido[1,2-a]benzimidazol-1-ium-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCN2C3C(CN(CN3)C4CCCCC4)C(=O)NC2=S

DOS

IR

Vibrations