Geometry & MOs

Info

ID:	55133
PubChem CID:	17389803
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	230.97173
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	6.55
IP(EA), eV:	-8.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

DOS

IR

Vibrations