Geometry & MOs

Info

ID:	272098
PubChem CID:	103723858
Reduced:	NSBr2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	3.2
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2-hydroxyethylamino)cyclohexyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC1)CNS(=O)(=O)C2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations