Geometry & MOs

Info

ID:	285140
PubChem CID:	104098329
Reduced:	FSN2O2C8H11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	213.164126
ΔH_f, kcal/mol:	-36.59
Dipole, Da:	6.51
IP(EA), eV:	-9.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)[N+](=O)[O-])CNCCCF

DOS

IR

Vibrations