Geometry & MOs

Info

ID:	195378
PubChem CID:	78679212
Reduced:	FO2S2N4C17H19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	3.09
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-1-[(2-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NNC(=S)NC1=CC=CC=C1F)NC(=O)C2=CC=CS2

DOS

IR

Vibrations