Geometry & MOs

Info

ID:	153436
PubChem CID:	56312635
Reduced:	FNO2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	306.093519
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	3.37
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC2=C(C=C1)OCC2)C3=CC=CC=C3F

DOS

IR

Vibrations