Geometry & MOs

Info

ID:	403142
PubChem CID:	135058932
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	240.087433
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	1.98
IP(EA), eV:	-9.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-2-(trifluoromethyl)benzimidazole

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1CCC2=CC=CC=C2OC

DOS

IR

Vibrations