Geometry & MOs

Info

ID:	28856
PubChem CID:	830070
Reduced:	ON2S2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	2.33
Dipole, Da:	2.01
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-3H-benzimidazol-5-yl)hydrazinylidene]pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(=C)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C

DOS

IR

Vibrations