Geometry & MOs

Info

ID:	445604
PubChem CID:	135268467
Reduced:	NO2F3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	473.177565
ΔH_f, kcal/mol:	-183.67
Dipole, Da:	4.14
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2,4-difluoro-5-[(9-methylpurin-6-yl)methyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C)C(C(F)F)(/C(=C/C=C(\N=C)/OC)/C)O

DOS

IR

Vibrations