Geometry & MOs

Info

ID:	340784
PubChem CID:	127262796
Reduced:	PO4C32H47 (1)
Stoich.:	AB4C32D47 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-187.99
Dipole, Da:	1.1
IP(EA), eV:	-7.78(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methyl-3-phenylbutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC

DOS

IR

Vibrations