Geometry & MOs

Info

ID:	343374
PubChem CID:	127266547
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	-148.76
Dipole, Da:	7.39
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-tert-butyl-1H-pyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COCCN1C=C(C2=CC=CC=C21)C(=O)N3CCOCC3C4CCCCC4O

DOS

IR

Vibrations