Geometry & MOs

Info

ID:	436622
PubChem CID:	135206225
Reduced:	FN3O4C31H40 (1)
Stoich.:	AB3C4D31E40 (1)
Weight, g/mol:	432.222014
ΔH_f, kcal/mol:	-174.19
Dipole, Da:	9.0
IP(EA), eV:	-8.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid;2,6-diaminohexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C2=CCC(C=N2)(C(C(=O)O)OC(C)C)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C

DOS

IR

Vibrations