Geometry & MOs

Info

ID:	147684
PubChem CID:	53787341
Reduced:	OH2C3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	399.08735
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	3.01
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(8-chloro-2,4-dioxochromen-3-ylidene)methylamino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C(=C(C=C3)O)O)O

DOS

IR

Vibrations