Geometry & MOs

Info

ID:	260851
PubChem CID:	103206920
Reduced:	N2O2F3C12H21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	279.130695
ΔH_f, kcal/mol:	-268.84
Dipole, Da:	5.37
IP(EA), eV:	-8.95(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1CCCC(N1)CNC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations