Geometry & MOs

Info

ID:	82523
PubChem CID:	49856135
Reduced:	O5N6C32H34 (1)
Stoich.:	A5B6C32D34 (1)
Weight, g/mol:	489.071404
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	4.92
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations