Geometry & MOs

Info

ID:	299778
PubChem CID:	117689359
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	386.96354
ΔH_f, kcal/mol:	6.34
Dipole, Da:	9.37
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-7-iodo-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(CC(O3)(C4CC4)C(C5=C6C(=CC=C5)NC=N6)O)C=C2

DOS

IR

Vibrations