Geometry & MOs

Info

ID:	319215
PubChem CID:	126655343
Reduced:	ON3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	3.53
IP(EA), eV:	-9.31(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one

Drug info:

PubChemData

Smile

C[C@]1(CCN(C1)C2=CC=NN2)O

DOS

IR

Vibrations