Geometry & MOs

Info

ID:	73399
PubChem CID:	48417615
Reduced:	O4N5H9C12 (1)
Stoich.:	A4B5C9D12 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	24.95
Dipole, Da:	3.05
IP(EA), eV:	-9.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)N2C(=C(C=N2)C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations