Geometry & MOs

Info

ID:	390230
PubChem CID:	134997882
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-91.31
Dipole, Da:	3.16
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3Z)-3-[ethoxy(hydroxy)methylidene]-5-hydroxy-1-methyl-2-oxo-1-benzazepine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C3=CC=CC=C3O2)C(=O)OC

DOS

IR

Vibrations