Geometry & MOs

Info

ID:	313638
PubChem CID:	126616771
Reduced:	NOC15H24 (2)
Stoich.:	ABC15D24 (2)
Weight, g/mol:	350.96617
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	2.44
IP(EA), eV:	-9.4(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-6-chloropyridin-2-yl)-1,3-dihydroindene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC[C@H](C2=CC=CC=C2)NC(=O)[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

DOS

IR

Vibrations