Geometry & MOs

Info

ID:	126892
PubChem CID:	50983333
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	371.210996
ΔH_f, kcal/mol:	23.71
Dipole, Da:	3.4
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

Drug info:

PubChemData

Smile

C1CSCC1NCCCNC2=CN=CC=C2

DOS

IR

Vibrations