Geometry & MOs

Info

ID:	375294
PubChem CID:	131485332
Reduced:	BrIOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-tert-butyl-1-methylbenzimidazol-5-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1I)CBr)OC

DOS

IR

Vibrations