Geometry & MOs

Info

ID:	342162
PubChem CID:	127264875
Reduced:	SN4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	301.132746
ΔH_f, kcal/mol:	144.85
Dipole, Da:	6.88
IP(EA), eV:	-8.75(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(S2)C=CC3=C(C=NC=C3)C#N

DOS

IR

Vibrations