Geometry & MOs

Info

ID:	298817
PubChem CID:	117659179
Reduced:	FON2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	420.176168
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	2.64
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2OCCCOC)C3=C(C(=CC=C3)F)F)C4=CN=CC=C4

DOS

IR

Vibrations