Geometry & MOs

Info

ID:	167630
PubChem CID:	74850401
Reduced:	BrO3N5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	467.158739
ΔH_f, kcal/mol:	9.88
Dipole, Da:	2.7
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoropropyl 2-(2-anilinoethenyl)-1,3-diethylbenzimidazol-1-ium-5-carboxylate;chloride

Drug info:

PubChemData

Smile

COCCN(CC1=CC(=O)N2C=C(C=CC2=N1)Br)CC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations