Geometry & MOs

Info

ID:	192553
PubChem CID:	78285135
Reduced:	FO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	6.1
IP(EA), eV:	-8.98(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations