Geometry & MOs

Info

ID:	397088
PubChem CID:	135029709
Reduced:	BrNSH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	230.118104
ΔH_f, kcal/mol:	44.64
Dipole, Da:	1.38
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-spiro[cyclopentane-1,2'-indol-1-ium]-3'-ylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC(=CN=C12)Br)S

DOS

IR

Vibrations