Geometry & MOs

Info

ID:	31869
PubChem CID:	3721843
Reduced:	F2O2N3H17C24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	9.89
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexan-2-ylidene-1,3-dimethylbenzimidazole

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC(=CC=C4)C#N

DOS

IR

Vibrations