Geometry & MOs

Info

ID:	30029
PubChem CID:	838984
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-178.89
Dipole, Da:	6.65
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@](CCO1)(CC(=O)O)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations