Geometry & MOs

Info

ID:	280937
PubChem CID:	103852024
Reduced:	ClFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	319.01204
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	3.18
IP(EA), eV:	-8.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-1H-indazol-5-amine

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations