Geometry & MOs

Info

ID:	299765
PubChem CID:	117689251
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	420.98989
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	10.26
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-iodo-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)C(=O)C2=C3C(=CC(=C2)C4=C(ON=C4C)C)N(C(=N3)C5CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations