Geometry & MOs

Info

ID:	172943
PubChem CID:	75574520
Reduced:	N4O5C19H20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	245.066123
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	7.39
IP(EA), eV:	-9.66(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2,6-dioxo-5-(1H-1,2,4-triazol-5-ylhydrazinylidene)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=NNC2=CC=CC(=C2)C(=O)OC(C)C)CCO)C#N

DOS

IR

Vibrations