Geometry & MOs

Info

ID:	300027
PubChem CID:	118043853
Reduced:	FON7H20C23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	401.140036
ΔH_f, kcal/mol:	39.11
Dipole, Da:	5.97
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=CC3=C(C2=O)C=C(C=C3)F)[C@@H](C)NC4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations