Geometry & MOs

Info

ID:	313566
PubChem CID:	126615911
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	377.132196
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	3.94
IP(EA), eV:	-8.84(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Drug info:

PubChemData

Smile

CN1CCCC1CC2CO2

DOS

IR

Vibrations