Geometry & MOs

Info

ID:	387567
PubChem CID:	134985891
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	6.31
IP(EA), eV:	-9.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2,3-diethyl-4-hydroxy-6-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C/C=[N+](/C(CC1=CC=CC=C1)C(=O)O)\[O-]

DOS

IR

Vibrations