Geometry & MOs

Info

ID:	298808
PubChem CID:	117657525
Reduced:	OF4N4H16C23 (1)
Stoich.:	AB4C4D16E23 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	3.86
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-N-(5-methylpyridin-2-yl)-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C4=C(C=C(C=C4)F)F)C(=N2)NCC(C(=O)N)(F)F

DOS

IR

Vibrations