Geometry & MOs

Info

ID:	419149
PubChem CID:	135107605
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	313.074868
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	6.79
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dichlorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations