Geometry & MOs

Info

ID:	403084
PubChem CID:	135058663
Reduced:	BNSO6C21H25 (1)
Stoich.:	ABCD6E21F25 (1)
Weight, g/mol:	236.131349
ΔH_f, kcal/mol:	-276.02
Dipole, Da:	7.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957986
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-6-methylbenzimidazole

Drug info:

PubChemData

Smile

[B-]12(C3=C(C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)N=C(O1)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations