Geometry & MOs

Info

ID:	328636
PubChem CID:	126726166
Reduced:	SF3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	626.259264
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	3.31
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(S1)C2=NC(=NC=N2)C3=NNC(=C3)C(F)(F)F

DOS

IR

Vibrations