Geometry & MOs

Info

ID:	149566
PubChem CID:	53789239
Reduced:	O9C46H50 (1)
Stoich.:	A9B46C50 (1)
Weight, g/mol:	397.972509
ΔH_f, kcal/mol:	-244.96
Dipole, Da:	5.51
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole

Drug info:

PubChemData

Smile

CCCCCC#CC1=C(C(=CC(=C1)OCC2=CC=CC=C2)OC3[C@@H]([C@H](C(O3)[C@@]4(C(C45CCCC5)O)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations