Geometry & MOs

Info

ID:	307971
PubChem CID:	125311035
Reduced:	FN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	191.085875
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	5.69
IP(EA), eV:	-8.72(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-(4-fluorophenyl)-4-methyl-3H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2CN=C3C4=C(C=CC(=C4)F)N=C3C2=O

DOS

IR

Vibrations