Geometry & MOs

Info

ID:	298814
PubChem CID:	117659039
Reduced:	FON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	472.238688
ΔH_f, kcal/mol:	23.89
Dipole, Da:	1.63
IP(EA), eV:	-8.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-fluorophenyl)-N-methyl-8-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC2=C1N=C(N=C2NC)C3=CN=CC=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations