Geometry & MOs

Info

ID:	400065
PubChem CID:	135044987
Reduced:	ZrO4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-162.79
Dipole, Da:	2.85
IP(EA), eV:	-6.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2R)-2-ethyl-5-hydroxy-5-methoxy-2,4-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

CC[C@](C)(C/C(=C(\O)/OC)/C)C(=O)OC.[Zr]

DOS

IR

Vibrations