Geometry & MOs

Info

ID:	28039
PubChem CID:	825247
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	343.106925
ΔH_f, kcal/mol:	65.99
Dipole, Da:	1.29
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2N(C3=CC=CC=C3C4=CC=CC=C4N2O)O

DOS

IR

Vibrations