Geometry & MOs

Info

ID:	138881
PubChem CID:	52438847
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	347.208316
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	11.98
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[4-(1H-imidazol-3-ium-3-yl)butyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations