Geometry & MOs

Info

ID:	25685
PubChem CID:	628918
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	1.73
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-(1-methylbenzimidazol-2-yl)methanol

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(C=C2)SC3=CC=C(C=C3)C(=NO)N

DOS

IR

Vibrations