Geometry & MOs

Info

ID:	181841
PubChem CID:	76802303
Reduced:	BN2O4C28H33 (1)
Stoich.:	AB2C4D28E33 (1)
Weight, g/mol:	442.06922
ΔH_f, kcal/mol:	-184.61
Dipole, Da:	3.48
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=C(C3)C4CCCN4C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations