Geometry & MOs

Info

ID:	167873
PubChem CID:	74887951
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	4.94
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-methylbutylamino)phenyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

C1C(NNC1=O)C2=CC=C(C=C2)NCC3=CC=C(O3)Br

DOS

IR

Vibrations