Geometry & MOs

Info

ID:	279190
PubChem CID:	103841945
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	329.97707
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	2.49
IP(EA), eV:	-9.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-chlorobenzoyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCCCCC#N)Br)Cl

DOS

IR

Vibrations