Geometry & MOs

Info

ID:	311858
PubChem CID:	126598462
Reduced:	OCl2F3N7C24H28 (1)
Stoich.:	AB2C3D7E24F28 (1)
Weight, g/mol:	274.146999
ΔH_f, kcal/mol:	-155.9
Dipole, Da:	2.89
IP(EA), eV:	-8.74(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methyl]-5-(pyridin-3-ylmethyl)pyridine

Drug info:

PubChemData

Smile

CCC[C@@H](CCC(=O)N)N1C2=NC(=NC=C2N=C1NC3=C(C=C(C=C3Cl)Cl)F)NC4CCC(CC4)(F)F

DOS

IR

Vibrations