Geometry & MOs

Info

ID:	212511
PubChem CID:	81060768
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	226.121846
ΔH_f, kcal/mol:	46.95
Dipole, Da:	4.11
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCN3CCCC3C2

DOS

IR

Vibrations