Geometry & MOs

Info

ID:	230230
PubChem CID:	87570472
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	400.246104
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	3.46
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethoxyethane;(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

Drug info:

PubChemData

Smile

CC(=NOCCCCC1COC(OC1)(C)C(=O)O)C2=CN=CC=C2

DOS

IR

Vibrations