Geometry & MOs

Info

ID:	30179
PubChem CID:	840457
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	336.069927
ΔH_f, kcal/mol:	-0.05
Dipole, Da:	3.24
IP(EA), eV:	-8.38(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=C3CCCC3=N2)N

DOS

IR

Vibrations