Geometry & MOs

Info

ID:	197806
PubChem CID:	79000616
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	259.105587
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	6.07
IP(EA), eV:	-9.34(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1-(4-ethoxy-4-oxobutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC(=O)N2C[C@@H](C[C@@H]2C(=O)O)O

DOS

IR

Vibrations