Geometry & MOs

Info

ID:	202944
PubChem CID:	79748765
Reduced:	N2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-146.98
Dipole, Da:	3.55
IP(EA), eV:	-9.67(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1C(CC(F)(F)F)N)N=CC=C2

DOS

IR

Vibrations