Geometry & MOs

Info

ID:	314900
PubChem CID:	126623945
Reduced:	BrO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	1.66
IP(EA), eV:	-9.41(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-carbamoylindol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NC1=NC(=CC=C1)Br)N)O

DOS

IR

Vibrations