Geometry & MOs

Info

ID:	13660
PubChem CID:	396571
Reduced:	BrON2F3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	393.99286
ΔH_f, kcal/mol:	-143.07
Dipole, Da:	6.04
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

Drug info:

PubChemData

Smile

C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=C2C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations