Geometry & MOs

Info

ID:	445661
PubChem CID:	135268782
Reduced:	FN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	416.20124
ΔH_f, kcal/mol:	-205.29
Dipole, Da:	5.84
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]but-2-en-2-yl]prop-2-en-1-imine

Drug info:

PubChemData

Smile

CN1C2=C(CC(C(=N2)OC3CCCC3)CC4=CC=C(C=C4)F)C(=O)N(C1=O)CCCO

DOS

IR

Vibrations