Geometry & MOs

Info

ID:	445169
PubChem CID:	135264772
Reduced:	ON4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	58.06
Dipole, Da:	8.06
IP(EA), eV:	-8.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)/C(=C/N)/C=N3

DOS

IR

Vibrations