Geometry & MOs

Info

ID:	277185
PubChem CID:	103827201
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	4.05
IP(EA), eV:	-9.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2=CC(=CC(=C2)Br)Cl)C#N

DOS

IR

Vibrations