Geometry & MOs

Info

ID:	255309
PubChem CID:	103131308
Reduced:	BrFN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	311.04334
ΔH_f, kcal/mol:	22.94
Dipole, Da:	3.62
IP(EA), eV:	-9.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=C(C=C2)F)Br)N

DOS

IR

Vibrations