Geometry & MOs

Info

ID:	151401
PubChem CID:	53801196
Reduced:	N3O9C32H45 (1)
Stoich.:	A3B9C32D45 (1)
Weight, g/mol:	164.156501
ΔH_f, kcal/mol:	-363.79
Dipole, Da:	7.19
IP(EA), eV:	-9.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diethylcycloocta-1,5-diene

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1OC(=O)C)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)C[N-][N+]#N

DOS

IR

Vibrations