Geometry & MOs

Info

ID:	382381
PubChem CID:	134973508
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	349.225308
ΔH_f, kcal/mol:	52.28
Dipole, Da:	12.48
IP(EA), eV:	-7.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-benzyl-4-[(1S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\NC(=C3N2C=CC=C3)C4=CC=CC=N4)/C=CC1=O

DOS

IR

Vibrations