Geometry & MOs

Info

ID:	216130
PubChem CID:	85085767
Reduced:	NO5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	231.110673
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	5.35
IP(EA), eV:	-10.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetamido-4-acetyloxybutyl) acetate

Drug info:

PubChemData

Smile

CCC(CC(=O)OCC)(C(=C[N+](=O)[O-])C)O

DOS

IR

Vibrations