Geometry & MOs

Info

ID:	445592
PubChem CID:	135268414
Reduced:	FO5N6H19C24 (1)
Stoich.:	AB5C6D19E24 (1)
Weight, g/mol:	527.194438
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	13.45
IP(EA), eV:	-8.69(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-ethyl-2-fluoro-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)/C(=C/4\C=C(C(=O)C=C4F)C(C5=NN=C(C=C5)C(=O)N=O)O)/N=CN3

DOS

IR

Vibrations