Geometry & MOs

Info

ID:	196728
PubChem CID:	78870413
Reduced:	F2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	266.160598
ΔH_f, kcal/mol:	-201.14
Dipole, Da:	3.25
IP(EA), eV:	-9.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=CC(=C2)CNC(=O)NCC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations