Geometry & MOs

Info

ID:	149463
PubChem CID:	53789136
Reduced:	O4C17H22 (2)
Stoich.:	A4B17C22 (2)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-332.42
Dipole, Da:	4.6
IP(EA), eV:	-9.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetyl-5-methyl-2-methylidenehexanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)C.CC(C)C[C@@H](C(=O)C)C(=C)C(=O)O

DOS

IR

Vibrations