Geometry & MOs

Info

ID:	283669
PubChem CID:	103997204
Reduced:	BrNSO3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	6.9
IP(EA), eV:	-9.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxycarbonyl-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)C3=C(C=CS3)Br)C=C(C=C2)C(=O)O

DOS

IR

Vibrations