Geometry & MOs

Info

ID:	276914
PubChem CID:	103825742
Reduced:	IN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	68.15
Dipole, Da:	4.27
IP(EA), eV:	-8.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)CNC2=CC=CC=C2I

DOS

IR

Vibrations