Geometry & MOs

Info

ID:	300009
PubChem CID:	118043812
Reduced:	FON7H22C24 (1)
Stoich.:	ABC7D22E24 (1)
Weight, g/mol:	419.130614
ΔH_f, kcal/mol:	32.06
Dipole, Da:	5.02
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3C)NC4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations