Geometry & MOs

Info

ID:	229391
PubChem CID:	87567535
Reduced:	FO2S2N4C21H23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	490.104673
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	4.58
IP(EA), eV:	-8.98(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CSN=N4)/C3)SC(=O)CN

DOS

IR

Vibrations