Geometry & MOs

Info

ID:	89409
PubChem CID:	49961499
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-218.27
Dipole, Da:	6.72
IP(EA), eV:	-9.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazepan-1-yl)-2-(2,5-dimethylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C(F)(F)F

DOS

IR

Vibrations