Geometry & MOs

Info

ID:	426497
PubChem CID:	135144445
Reduced:	N5C28H39 (1)
Stoich.:	A5B28C39 (1)
Weight, g/mol:	445.320546
ΔH_f, kcal/mol:	43.61
Dipole, Da:	7.19
IP(EA), eV:	-7.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-cyclopentylphenyl)propylamino]methyl]-6-(2-piperidin-1-ylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN(CC1=C(C=CC(=N1)NCCN2CCCCC2)C#N)C3=CC=C(C=C3)C4CCCC4

DOS

IR

Vibrations