Geometry & MOs

Info

ID:	267934
PubChem CID:	103590504
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	270.153227
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	3.4
IP(EA), eV:	-8.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations