Geometry & MOs

Info

ID:	276149
PubChem CID:	103820955
Reduced:	BrN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	324.187149
ΔH_f, kcal/mol:	-139.6
Dipole, Da:	3.38
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1-thiophen-2-ylbutylamino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C(=CC=C2)Br)COC

DOS

IR

Vibrations