Geometry & MOs

Info

ID:	164076
PubChem CID:	74381790
Reduced:	BrON3F6H12C19 (1)
Stoich.:	ABC3D6E12F19 (1)
Weight, g/mol:	383.04334
ΔH_f, kcal/mol:	-272.57
Dipole, Da:	5.67
IP(EA), eV:	-10.23(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-9a-(4-fluorophenyl)-7,8,9,10-tetrahydro-2H-indeno[2,1-e]benzotriazole

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N

DOS

IR

Vibrations