Geometry & MOs

Info

ID:	189564
PubChem CID:	77874235
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	5.53
IP(EA), eV:	-9.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N,N-diethyl-4-hydroxypyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(NNC1C(=O)O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations