Geometry & MOs

Info

ID:	425783
PubChem CID:	135127985
Reduced:	ClPN5H13C17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	114.08
Dipole, Da:	4.22
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-fluoroethoxy)phenyl]-8-methyl-2-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC3=C(C=CN3)C(=N2)NC4=CC(=C(C=C4)P)Cl

DOS

IR

Vibrations