Geometry & MOs

Info

ID:	50938
PubChem CID:	12013537
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	63.2
Dipole, Da:	1.45
IP(EA), eV:	-8.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-acetyloxypentanoate

Drug info:

PubChemData

Smile

C[C@]1(C[C@H](NC2=CC=CC=C21)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations