Geometry & MOs

Info

ID:	172141
PubChem CID:	75471458
Reduced:	O2F3N3C15H16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	310.062139
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	7.25
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-5-cyano-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NCC3=CN(N=C3C(F)(F)F)C

DOS

IR

Vibrations