Geometry & MOs

Info

ID:	342623
PubChem CID:	127265783
Reduced:	ClN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	2.78
IP(EA), eV:	-10.06(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC=C1C(=O)O)C=CC2=C(C(=CC=C2)C(=O)O)Cl

DOS

IR

Vibrations