Geometry & MOs

Info

ID:	263491
PubChem CID:	103371793
Reduced:	F3N3C9H14 (1)
Stoich.:	A3B3C9D14 (1)
Weight, g/mol:	252.144948
ΔH_f, kcal/mol:	-135.97
Dipole, Da:	3.74
IP(EA), eV:	-9.16(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-ylmethyl)-6-(trifluoromethyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CNC1CCN(C1)CC(C#N)C(F)(F)F

DOS

IR

Vibrations