Geometry & MOs

Info

ID:	430327
PubChem CID:	135170391
Reduced:	OF5N8H19C20 (1)
Stoich.:	AB5C8D19E20 (1)
Weight, g/mol:	410.127631
ΔH_f, kcal/mol:	-171.28
Dipole, Da:	9.96
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-[(E)-3-methyl-4-[1-(methylideneamino)ethylideneamino]-2-morpholin-4-ylbut-3-enyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=CN=C1N[C@H]2CC(C[C@@H]2NC(=O)C3=C(C=CC=N3)N4N=CC=N4)(F)F)C(F)(F)F

DOS

IR

Vibrations