Geometry & MOs

Info

ID:	73326
PubChem CID:	48417437
Reduced:	FOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	14.59
Dipole, Da:	3.48
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)SCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations