Geometry & MOs

Info

ID:	73342
PubChem CID:	48417477
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	336.097088
ΔH_f, kcal/mol:	23.87
Dipole, Da:	3.53
IP(EA), eV:	-9.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations