Geometry & MOs

Info

ID:	126529
PubChem CID:	50967268
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	62.64
Dipole, Da:	5.78
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzimidazol-1-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OCC2=NC(=NN2C3=CC=CC=N3)C

DOS

IR

Vibrations