Geometry & MOs

Info

ID:	242495
PubChem CID:	96107471
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	289.102668
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	5.44
IP(EA), eV:	-9.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[6,7-difluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C(=O)O)O

DOS

IR

Vibrations