Geometry & MOs

Info

ID:	319973
PubChem CID:	126657710
Reduced:	IOF4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-214.19
Dipole, Da:	2.11
IP(EA), eV:	-9.71(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]pyridin-3-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CF)(C(F)(F)F)O)I

DOS

IR

Vibrations