Geometry & MOs

Info

ID:	372787
PubChem CID:	131304737
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	26.83
Dipole, Da:	2.69
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)OC(=C2)C(CC#N)N

DOS

IR

Vibrations