Geometry & MOs

Info

ID:	227430
PubChem CID:	87561740
Reduced:	ClF2O2N6C24H29 (1)
Stoich.:	AB2C2D6E24F29 (1)
Weight, g/mol:	301.95522
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	1.11
IP(EA), eV:	-8.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-2-iodoacetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC(F)F)C2=NC(=NC3=C2OC=C3)NC4=CC(=C(C=C4)N5CCOCC5)Cl

DOS

IR

Vibrations