Geometry & MOs

Info

ID:	127358
PubChem CID:	50999628
Reduced:	ClN2F3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	309.070066
ΔH_f, kcal/mol:	-143.09
Dipole, Da:	4.28
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations