Geometry & MOs

Info

ID:	342747
PubChem CID:	127265910
Reduced:	ON4H12C18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	122.88
Dipole, Da:	2.55
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-tert-butyl-1-methylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=C(C=NC=C2)C#N)OC3=NC=CN=C3

DOS

IR

Vibrations