Geometry & MOs

Info

ID:	174935
PubChem CID:	75835376
Reduced:	ON2S2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	367.01432
ΔH_f, kcal/mol:	7.42
Dipole, Da:	2.33
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CS1)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations