Geometry & MOs

Info

ID:	443264
PubChem CID:	135258315
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	346.048712
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	3.41
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5,6-dichlorobenzimidazol-1-yl)-4,4,6-trimethyl-1,3,5-trioxepan-2-ol

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)NN

DOS

IR

Vibrations