Geometry & MOs

Info

ID:	208726
PubChem CID:	80572107
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	1.54
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(S1)C2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations