Geometry & MOs

Info

ID:	209458
PubChem CID:	80676123
Reduced:	BrN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	39.48
Dipole, Da:	5.41
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)CBr)C2=NN=CC=C2

DOS

IR

Vibrations