Geometry & MOs

Info

ID:	185254
PubChem CID:	77276337
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	240.02621
ΔH_f, kcal/mol:	-146.51
Dipole, Da:	1.49
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methyl-4-phenylpyrazolidine

Drug info:

PubChemData

Smile

C1COCC=C1C2=CC3=C(C(=C2)F)OC4=C(C35CNCC(O5)N)C=C(C=C4)O

DOS

IR

Vibrations