Geometry & MOs

Info

ID:	145244
PubChem CID:	53486496
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-208.67
Dipole, Da:	4.22
IP(EA), eV:	-9.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CC2=C(O1)CC(CC2=O)(C)C)C(=O)OC

DOS

IR

Vibrations