Geometry & MOs

Info

ID:	212513
PubChem CID:	81060774
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	266.077931
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	10.17
IP(EA), eV:	-8.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)C1=C(C(=NC(=C1)C)C)C(=S)N

DOS

IR

Vibrations