Geometry & MOs

Info

ID:	448327
PubChem CID:	135290157
Reduced:	N2O6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	511.07611
ΔH_f, kcal/mol:	-180.8
Dipole, Da:	16.66
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-bromo-4-chloro-5-(3-methoxypropoxy)phenyl]-2,2-dimethylcyclopentyl]-4-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(C2N1N3C=C(C(=O)C=C3C4=C2C=C(C=C4)OCCCOC)C(=O)O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations