Geometry & MOs

Info

ID:	82076
PubChem CID:	49855566
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	530.115711
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	4.39
IP(EA), eV:	-8.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations