Geometry & MOs

Info

ID:	406454
PubChem CID:	135077666
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	288.185608
ΔH_f, kcal/mol:	-272.92
Dipole, Da:	6.94
IP(EA), eV:	-10.0(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R,6R)-3-chloro-6-pentan-3-yloxan-2-yl]-3,3-dimethylbutanal

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=O)(C[C@@H]1CCCO1)C(=O)OCC

DOS

IR

Vibrations