Geometry & MOs

Info

ID:	299766
PubChem CID:	117689253
Reduced:	IOF3N3H11C14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	417.143704
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	4.28
IP(EA), eV:	-9.34(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylpyridazine-3-carbonyl)benzimidazole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=C2)I)N(C(=N3)C(F)(F)F)C

DOS

IR

Vibrations