Geometry & MOs

Info

ID:	293283
PubChem CID:	117381539
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	4.49
IP(EA), eV:	-8.63(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-tert-butyl-2-hydroxy-6-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C=CC(=C1)OC)N(C)C)C(=O)O

DOS

IR

Vibrations