Geometry & MOs

Info

ID:	54906
PubChem CID:	17389521
Reduced:	BrNO4H8C11 (1)
Stoich.:	ABC4D8E11 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	6.16
IP(EA), eV:	-9.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylsulfanylmethyl)pyrrolidine;oxalic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)Br.C(=O)(C(=O)O)O

DOS

IR

Vibrations