Geometry & MOs

Info

ID:	254805
PubChem CID:	103127808
Reduced:	BrFN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	283.148476
ΔH_f, kcal/mol:	51.85
Dipole, Da:	2.2
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(CC3=CC(=CC(=C3)Br)F)N)C=N1

DOS

IR

Vibrations