Geometry & MOs

Info

ID:	399702
PubChem CID:	135041897
Reduced:	IOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	295.99491
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	3.35
IP(EA), eV:	-9.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromophenyl)ethynyl]benzimidazole

Drug info:

PubChemData

Smile

C1CC(OC2(C1)CC[C@@H](O2)CI)CI

DOS

IR

Vibrations