Geometry & MOs

Info

ID:	233959
PubChem CID:	92297427
Reduced:	OC22H30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	276.11503
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	1.96
IP(EA), eV:	-8.46(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-phenylethyl]naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations