Geometry & MOs

Info

ID:	402839
PubChem CID:	135057461
Reduced:	ON2F3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-164.04
Dipole, Da:	3.93
IP(EA), eV:	-9.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-methylbut-2-enoxy)-2-propylphenyl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)C2=CC=CC=N2

DOS

IR

Vibrations