Geometry & MOs

Info

ID:	404776
PubChem CID:	135070793
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	3.59
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=N[C@H](C(=O)O2)CC3=CC=C(C=C3)O

DOS

IR

Vibrations