Geometry & MOs

Info

ID:	445639
PubChem CID:	135268705
Reduced:	ClN4C24H39 (1)
Stoich.:	AB4C24D39 (1)
Weight, g/mol:	449.166331
ΔH_f, kcal/mol:	14.93
Dipole, Da:	2.97
IP(EA), eV:	-7.78(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-fluoro-4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CCCCC1NC(=C(N1CC2=CC=C(C=C2)Cl)C(=C)N(C)CCCC)N(C)CC

DOS

IR

Vibrations