Geometry & MOs

Info

ID:	141421
PubChem CID:	52875143
Reduced:	ClON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	320.176775
ΔH_f, kcal/mol:	43.08
Dipole, Da:	4.56
IP(EA), eV:	-7.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[[(2S)-3-ethyl-2-pyrrolidin-1-ylpentyl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC3=C(C=C(C=N3)C#N)Cl

DOS

IR

Vibrations