Geometry & MOs

Info

ID:	412377
PubChem CID:	135085268
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	183.053158
ΔH_f, kcal/mol:	13.54
Dipole, Da:	6.15
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethynyl-6-methyl-1,3,6-dioxazocane-4,8-dione

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=C(C3=CC=CC=C3N2)C=O

DOS

IR

Vibrations