Geometry & MOs

Info

ID:	398883
PubChem CID:	135036026
Reduced:	O4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	322.156895
ΔH_f, kcal/mol:	-140.76
Dipole, Da:	4.17
IP(EA), eV:	-9.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(C[C@@H](C2=CC=CC=C2C1=O)C3=CC=CC=C3)O

DOS

IR

Vibrations