Geometry & MOs

Info

ID:	447153
PubChem CID:	135280745
Reduced:	ClN6C28H31 (1)
Stoich.:	AB6C28D31 (1)
Weight, g/mol:	420.419198
ΔH_f, kcal/mol:	111.39
Dipole, Da:	2.93
IP(EA), eV:	-7.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N,N'-bis(1-tert-butylpiperidin-4-yl)-N'-ethyl-3-methylpent-2-ene-1,5-diamine

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl)C6CC6

DOS

IR

Vibrations