Geometry & MOs

Info

ID:	217740
PubChem CID:	85088301
Reduced:	IO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	393.05891
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	2.08
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-bromobenzimidazol-1-yl)-N-(1-phenylethyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)OC(CCI)C2=CC=CC=C2

DOS

IR

Vibrations