Geometry & MOs

Info

ID:	390257
PubChem CID:	134998088
Reduced:	NO2H6C10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	3.54
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,7-dimethyloxepine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=C(C=C3N2)OC5=CC=CC=C5O)C(=O)NC4=O

DOS

IR

Vibrations