Geometry & MOs

Info

ID:	40477
PubChem CID:	8144202
Reduced:	OSN5C23H27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	82.3
Dipole, Da:	5.95
IP(EA), eV:	-8.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations