Geometry & MOs

Info

ID:	312836
PubChem CID:	126609094
Reduced:	ON3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	342.16198
ΔH_f, kcal/mol:	13.51
Dipole, Da:	5.29
IP(EA), eV:	-10.1(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-17-pentyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

C=CCC(CN1C=NC=N1)O

DOS

IR

Vibrations