Geometry & MOs

Info

ID:	298819
PubChem CID:	117659224
Reduced:	OF2N6H20C25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	444.139782
ΔH_f, kcal/mol:	27.86
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-difluorophenyl)-8-(furan-2-ylmethoxy)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations