Geometry & MOs

Info

ID:	415406
PubChem CID:	135088400
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-181.87
Dipole, Da:	4.95
IP(EA), eV:	-9.59(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations