Geometry & MOs

Info

ID:	445704
PubChem CID:	135268999
Reduced:	F2N2O6C27H32 (1)
Stoich.:	A2B2C6D27E32 (1)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	-320.34
Dipole, Da:	7.35
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-[(3-methoxypyrazin-2-yl)methyl]-4-methylphenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

C/C(=C\C1=C(C(=O)N(C(=O)C1)CCCO)CCC2=CCNC(=C2)OC)/OC3=CC(=CC=C3)OC(C)(F)F

DOS

IR

Vibrations