Geometry & MOs

Info

ID:	227617
PubChem CID:	87562100
Reduced:	PdO2F3N3C12H14 (1)
Stoich.:	AB2C3D3E12F14 (1)
Weight, g/mol:	289.103811
ΔH_f, kcal/mol:	-178.88
Dipole, Da:	6.23
IP(EA), eV:	-7.24(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,8-diamino-5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C1CN(CC(C2=CC(=C(C=C21)N)N)O)C(=O)C(F)(F)F.[Pd]

DOS

IR

Vibrations