Geometry & MOs

Info

ID:	182529
PubChem CID:	76901137
Reduced:	ClON7H16C18 (1)
Stoich.:	ABC7D16E18 (1)
Weight, g/mol:	546.249172
ΔH_f, kcal/mol:	91.41
Dipole, Da:	2.32
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-amino-4-methyl-6-[1-(5-methyl-4-oxo-3-phenylquinazolin-2-yl)propylamino]pyrimidin-5-yl]-N-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N3C2=NC(=N3)CN4CC5=C(C4)N=CC(=C5)Cl)N

DOS

IR

Vibrations