Geometry & MOs

Info

ID:	79825
PubChem CID:	49830636
Reduced:	OSN4C27H30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	358.134223
ΔH_f, kcal/mol:	127.94
Dipole, Da:	4.8
IP(EA), eV:	-8.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[1-(2-fluorophenyl)ethylamino]pyrazin-2-yl]benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC3=C(C=C2)C4=C(C3)C(=NN4)C5=CSC(=C5)C#CCOCC6CC6

DOS

IR

Vibrations