Geometry & MOs

Info

ID:	380500
PubChem CID:	134970964
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	210.113018
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	3.26
IP(EA), eV:	-9.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

methyl (2S,3R)-2-(cyclopenta-1,4-dien-1-ylmethylamino)-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)[C@](CC)(CC=C)O)O

DOS

IR

Vibrations