Geometry & MOs

Info

ID:	300028
PubChem CID:	118043854
Reduced:	FON7H16C21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	469.062092
ΔH_f, kcal/mol:	56.94
Dipole, Da:	4.47
IP(EA), eV:	-9.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dichlorophenyl)-6-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations