Geometry & MOs

Info

ID:	398882
PubChem CID:	135036025
Reduced:	O3C21H22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	4.42
IP(EA), eV:	-9.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-hydroxy-1-oxo-4-phenyl-3,4-dihydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CC(C2=CC=CC=C2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations