Geometry & MOs

Info

ID:	375242
PubChem CID:	131481026
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	219.117176
ΔH_f, kcal/mol:	8.91
Dipole, Da:	2.06
IP(EA), eV:	-8.77(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)ethyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

C1CSCC[C@H]([C@H]1CCC#N)N

DOS

IR

Vibrations