Geometry & MOs

Info

ID:	426496
PubChem CID:	135144444
Reduced:	BrN4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	445.320546
ΔH_f, kcal/mol:	83.65
Dipole, Da:	9.41
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopentyl-N-propylanilino)methyl]-6-(2-piperidin-1-ylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C#N)CNC3=CC=C(C=C3)Br

DOS

IR

Vibrations