Geometry & MOs

Info

ID:	392391
PubChem CID:	135015307
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-2-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]propyl] acetate

Drug info:

PubChemData

Smile

CC#CC(=O)N1C(=O)CC(N1CC2=CC=CC=C2)(C)C

DOS

IR

Vibrations