Geometry & MOs

Info

ID:	375846
PubChem CID:	134221838
Reduced:	NF2O5C33H35 (1)
Stoich.:	AB2C5D33E35 (1)
Weight, g/mol:	385.205322
ΔH_f, kcal/mol:	-284.1
Dipole, Da:	9.92
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butoxy-5-fluoro-2-methylphenyl)-1,6-dimethyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)F

DOS

IR

Vibrations