Geometry & MOs

Info

ID:	229323
PubChem CID:	87567408
Reduced:	NC3Br9 (1)
Stoich.:	AB3C9 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	2.33
IP(EA), eV:	-9.25(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C(C(N(Br)Br)(Br)Br)(C(Br)(Br)Br)(Br)Br

DOS

IR

Vibrations