Geometry & MOs

Info

ID:	405760
PubChem CID:	135075313
Reduced:	NaCl2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	10.95
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-propylphenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

DOS

IR

Vibrations