Geometry & MOs

Info

ID:	341893
PubChem CID:	127264586
Reduced:	ClO2N7H24C25 (1)
Stoich.:	AB2C7D24E25 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	56.79
Dipole, Da:	1.93
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(hydroxymethyl)-2-[4-[6-(2-methoxyethylamino)-4-methylpyridin-3-yl]phenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl)N

DOS

IR

Vibrations