Geometry & MOs

Info

ID:	209475
PubChem CID:	80677960
Reduced:	OBr2N2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-11.18
Dipole, Da:	3.88
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=NC=C(C=C2)Br)CBr

DOS

IR

Vibrations