Geometry & MOs

Info

ID:	445607
PubChem CID:	135268487
Reduced:	F2O2N3H25C27 (1)
Stoich.:	A2B2C3D25E27 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	4.62
IP(EA), eV:	-8.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]-4-methylphenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)F

DOS

IR

Vibrations