Geometry & MOs

Info

ID:	267004
PubChem CID:	103580410
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	332.98797
ΔH_f, kcal/mol:	-29.29
Dipole, Da:	3.37
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(5-bromo-3-chloropyridin-2-yl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=C(C=C(C=N3)Br)Cl)O

DOS

IR

Vibrations