Geometry & MOs

Info

ID:	390204
PubChem CID:	134997737
Reduced:	NO3H21C30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	24.74
Dipole, Da:	5.55
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=CC(=O)C3=CC=CC=C3N(/C2=C(/C4=CC=CC=C4)\O)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations