Geometry & MOs

Info

ID:	197370
PubChem CID:	78957987
Reduced:	ON2F3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	286.129298
ΔH_f, kcal/mol:	-240.71
Dipole, Da:	6.77
IP(EA), eV:	-9.73(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)CNCC(F)(F)F

DOS

IR

Vibrations