Geometry & MOs

Info

ID:	242172
PubChem CID:	96079485
Reduced:	FN4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	233.132826
ΔH_f, kcal/mol:	28.31
Dipole, Da:	3.69
IP(EA), eV:	-9.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C2=NC=NN2)N)F

DOS

IR

Vibrations