Geometry & MOs

Info

ID:	299973
PubChem CID:	118043618
Reduced:	ClON8H19C22 (1)
Stoich.:	ABC8D19E22 (1)
Weight, g/mol:	444.182235
ΔH_f, kcal/mol:	82.84
Dipole, Da:	4.32
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-amino-7H-purin-6-yl)amino]propyl]-6-fluoro-3-(2-methylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C=CC=C3Cl)N=C2C(C)NC4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations