Geometry & MOs

Info

ID:	136134
PubChem CID:	51985499
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	6.22
IP(EA), eV:	-8.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-(1H-imidazol-3-ium-3-yl)propyl-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations