Geometry & MOs

Info

ID:	146070
PubChem CID:	53630954
Reduced:	Cl2O3N6C24H24 (1)
Stoich.:	A2B3C6D24E24 (1)
Weight, g/mol:	500.113044
ΔH_f, kcal/mol:	14.37
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-6-methoxy-7-[(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine

Drug info:

PubChemData

Smile

CN1CCCC(C1)C2=NC(=NO2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)Cl)Cl)OC

DOS

IR

Vibrations