Geometry & MOs

Info

ID:	227525
PubChem CID:	87561922
Reduced:	F3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	405.98656
ΔH_f, kcal/mol:	-258.6
Dipole, Da:	5.56
IP(EA), eV:	-9.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloroform;2,2,2-trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC(F)(F)F)CC=O)O

DOS

IR

Vibrations