Geometry & MOs

Info

ID:	399414
PubChem CID:	135040155
Reduced:	O3H4N4C8 (1)
Stoich.:	A3B4C4D8 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	32.04
Dipole, Da:	3.5
IP(EA), eV:	-10.0(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl oct-6-ynoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N=[N+]=[N-])C(=O)N(C2=O)O

DOS

IR

Vibrations