Geometry & MOs

Info

ID:	285831
PubChem CID:	104133941
Reduced:	ClON2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-200.87
Dipole, Da:	3.59
IP(EA), eV:	-10.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-propan-2-yl-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)N(C)CC(F)(F)F)Cl

DOS

IR

Vibrations