Geometry & MOs

Info

ID:	194380
PubChem CID:	78525864
Reduced:	BrN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	343.097521
ΔH_f, kcal/mol:	6.18
Dipole, Da:	4.39
IP(EA), eV:	-8.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3Br)OC

DOS

IR

Vibrations