Geometry & MOs

Info

ID:	21803
PubChem CID:	591025
Reduced:	NO3H15C21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	329.105193
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	3.05
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)benzo[d][2]benzazepine-5,7-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O

DOS

IR

Vibrations