Geometry & MOs

Info

ID:	425807
PubChem CID:	135128086
Reduced:	FN5C26H26 (1)
Stoich.:	AB5C26D26 (1)
Weight, g/mol:	435.187578
ΔH_f, kcal/mol:	67.72
Dipole, Da:	2.92
IP(EA), eV:	-7.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-2-phosphanylpropyl)-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(3-methoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2C3=CCC(C=C3N/C(=C\4/CN=CC=C4)/N2)C5=CC=CC=C5F

DOS

IR

Vibrations