Geometry & MOs

Info

ID:	328603
PubChem CID:	126725901
Reduced:	N2O2H13C19 (2)
Stoich.:	A2B2C13D19 (2)
Weight, g/mol:	465.148653
ΔH_f, kcal/mol:	45.48
Dipole, Da:	4.1
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pentyldibenzothiophen-3-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C=C(C=C4)/C=C/C5=CC(=NC=C5)C6=NC(=CC(=C6)OC=O)C7=NC=CC(=C7)OC=O

DOS

IR

Vibrations