Geometry & MOs

Info

ID:	318433
PubChem CID:	126651362
Reduced:	N7C20H29 (1)
Stoich.:	A7B20C29 (1)
Weight, g/mol:	286.97688
ΔH_f, kcal/mol:	46.95
Dipole, Da:	3.25
IP(EA), eV:	-8.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoethynyl)pyrrolidine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC(C)(C)CN=C(N)N)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations