Geometry & MOs

Info

ID:	172944
PubChem CID:	75575289
Reduced:	O2H7N7C9 (1)
Stoich.:	A2B7C7D9 (1)
Weight, g/mol:	391.068346
ΔH_f, kcal/mol:	51.1
Dipole, Da:	5.41
IP(EA), eV:	-10.05(-2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-5-nitrophenyl)hydrazinylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)C1=NNC2=NC=NN2)C#N

DOS

IR

Vibrations