Geometry & MOs

Info

ID:	25682
PubChem CID:	628602
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	314.116761
ΔH_f, kcal/mol:	81.83
Dipole, Da:	5.66
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)N

DOS

IR

Vibrations