Geometry & MOs

Info

ID:	427370
PubChem CID:	135157778
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	398.172939
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	1.37
IP(EA), eV:	-9.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-[[2-methyl-5-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1(CCCCC2=CC=CC=C21)C(C)(C)C

DOS

IR

Vibrations