Geometry & MOs

Info

ID:	445631
PubChem CID:	135268657
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	414.18559
ΔH_f, kcal/mol:	20.83
Dipole, Da:	7.0
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)C(C5=NC=NC=C5C)O

DOS

IR

Vibrations