Geometry & MOs

Info

ID:	148334
PubChem CID:	53787996
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	427.191421
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	2.49
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-chlorophenyl)methyl]-5-ethoxy-3-methylindol-2-yl]-2,2,3-trimethylbutanoic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C=CC1=C(C=C(C(=C1)CC)CC)O

DOS

IR

Vibrations