Geometry & MOs

Info

ID:	390229
PubChem CID:	134997872
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	4.81
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxybenzo[b][1]benzoxepine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)OC3=C(C=CC=C3O2)C#N)C(C)(C)C

DOS

IR

Vibrations