Geometry & MOs

Info

ID:	380501
PubChem CID:	134970965
Reduced:	NO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	0.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865956
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC)NCC1=C[CH-]C=C1)O

DOS

IR

Vibrations