Geometry & MOs

Info

ID:	128227
PubChem CID:	51036664
Reduced:	ClNF2O2H14C22 (1)
Stoich.:	ABC2D2E14F22 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	4.9
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C4=C(C=CC=C4F)F)Cl

DOS

IR

Vibrations