Geometry & MOs

Info

ID:	295363
PubChem CID:	117527308
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	6.74
Dipole, Da:	4.84
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(oxan-4-yl)benzimidazole-5-thiol

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C=O)N=C1C3=CC=CC=C3OC

DOS

IR

Vibrations