Geometry & MOs

Info

ID:	327524
PubChem CID:	126690221
Reduced:	ClN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	452.331525
ΔH_f, kcal/mol:	68.92
Dipole, Da:	2.45
IP(EA), eV:	-9.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-N-[(Z)-1-(dimethylamino)hex-1-enyl]-N'-[(E)-3-(4-fluorophenyl)but-2-enyl]-4-piperidin-4-ylpenta-2,4-dienimidamide

Drug info:

PubChemData

Smile

CC(=NCCC1=CN=C(C=C1)Cl)NC#N

DOS

IR

Vibrations