Geometry & MOs

Info

ID:	126859
PubChem CID:	50982110
Reduced:	FSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	371.210996
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	5.71
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-4-phenylimidazol-1-yl]butyl]pyridine

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)CN2CC[C@H]([C@@H](C2)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations