Geometry & MOs

Info

ID:	420460
PubChem CID:	135113255
Reduced:	FN3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	240.102254
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	3.9
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-4-methoxypyrimidin-2-yl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCCCCF

DOS

IR

Vibrations