Geometry & MOs

Info

ID:	327493
PubChem CID:	126690100
Reduced:	IPO4C24H42 (1)
Stoich.:	ABC4D24E42 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	-261.97
Dipole, Da:	3.55
IP(EA), eV:	-9.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-hydroxy-2-methylprop-2-enoxy)methyl]-2-(3-methylbuta-1,3-dien-2-yloxymethyl)butyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC(CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1OPI)CCO

DOS

IR

Vibrations