Geometry & MOs

Info

ID:	298816
PubChem CID:	117659167
Reduced:	FON6H21C25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	436.171082
ΔH_f, kcal/mol:	74.64
Dipole, Da:	3.68
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-difluorophenyl)-8-(3-methoxypropoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2OCCN3C=CC=N3)C4=CC=C(C=C4)F)C5=CN=CC=C5

DOS

IR

Vibrations