Geometry & MOs

Info

ID:	178668
PubChem CID:	76365418
Reduced:	BrON4C19H29 (1)
Stoich.:	ABC4D19E29 (1)
Weight, g/mol:	403.07292
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	4.38
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-propan-2-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3C(C(NN3)C(C)C)Br

DOS

IR

Vibrations