Geometry & MOs

Info

ID:	245937
PubChem CID:	103030177
Reduced:	BrFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	265.136117
ΔH_f, kcal/mol:	10.31
Dipole, Da:	1.93
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylthiadiazol-5-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations