Geometry & MOs

Info

ID:	378612
PubChem CID:	134224704
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	421.264174
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	5.1
IP(EA), eV:	-9.29(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-N-[(1Z,4E)-4-[(Z)-2-[1-(3-fluoro-4-methylphenyl)propyl-methylamino]ethenyl]-1-(methylideneamino)hepta-1,4,6-trien-3-ylidene]-N'-methylprop-2-enimidamide

Drug info:

PubChemData

Smile

CCC(C)C1=NNC2=C1CN(CC2)C(=O)CC

DOS

IR

Vibrations