Geometry & MOs

Info

ID:	171391
PubChem CID:	75371721
Reduced:	ClOSN5H12C13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	80.54
Dipole, Da:	4.12
IP(EA), eV:	-9.45(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-ethoxyphenyl)methyl-(1H-imidazol-2-ylmethyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=NN=C(O2)SC3=C(C=C(C=N3)C#N)Cl

DOS

IR

Vibrations