Geometry & MOs

Info

ID:	381457
PubChem CID:	134972204
Reduced:	O3C18H20 (2)
Stoich.:	A3B18C20 (2)
Weight, g/mol:	344.00217
ΔH_f, kcal/mol:	-166.2
Dipole, Da:	2.07
IP(EA), eV:	-9.31(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethoxyphenyl)methyl]-2-iodoimidazole

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations