Geometry & MOs

Info

ID:	201434
PubChem CID:	79540983
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	4.39
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1C(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations