Geometry & MOs

Info

ID:	51977
PubChem CID:	12014748
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	4.84
IP(EA), eV:	-9.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyloxy-6-hydroxyhexyl) acetate

Drug info:

PubChemData

Smile

COC(=O)N[C@@]12CCC(=O)N[C@@]1(C3=CC=CC=C3C2)C4=CC=CC=C4

DOS

IR

Vibrations