Geometry & MOs

Info

ID:	242501
PubChem CID:	96107541
Reduced:	OF2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-70.75
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[1-(3-aminophenyl)-7-fluorobenzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(N1C3=CC=CC(=C3)N)C(=C(C=C2)F)F)O

DOS

IR

Vibrations