Geometry & MOs

Info

ID:	216340
PubChem CID:	85086073
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	6.38
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4,4-trimethyl-2-(2-methylpropyl)-5-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=N[N+]2=CC=CC(=C2)CCCO)[O-]

DOS

IR

Vibrations