Geometry & MOs

Info

ID:	63037
PubChem CID:	26738178
Reduced:	NO2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	387.110673
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	4.03
IP(EA), eV:	-8.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)/C=C\3/C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations