Geometry & MOs

Info

ID:	343376
PubChem CID:	127266549
Reduced:	N5H13C17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	152.34
Dipole, Da:	3.42
IP(EA), eV:	-9.63(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC2=C(C=NC=C2)C#N)N3C=NC=N3

DOS

IR

Vibrations