Geometry & MOs

Info

ID:	396281
PubChem CID:	135027912
Reduced:	ClO2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	434.01274
ΔH_f, kcal/mol:	5.12
Dipole, Da:	2.55
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-carbamoylphenyl)-[1-(2-oxochromen-3-yl)ethylidene]azanium;iodide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC/C(=C/C2=CC=C(C=C2)Cl)/OC3=CC=CC=C3

DOS

IR

Vibrations