Geometry & MOs

Info

ID:	402584
PubChem CID:	135056479
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	191.115758
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	1.87
IP(EA), eV:	-9.33(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-ethoxy-4-oxobutan-2-yl]azanium;acetate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C)O)C(C)C1=CC=CC=C1

DOS

IR

Vibrations