Geometry & MOs

Info

ID:	50330
PubChem CID:	12012850
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	399.240959
ΔH_f, kcal/mol:	-102.65
Dipole, Da:	2.54
IP(EA), eV:	-9.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-(dimethylamino)-1-phenylpropyl] 3-tert-butylperoxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC(CC(=O)O[C@H]1CCCC[C@@H]1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations