Geometry & MOs

Info

ID:	49745
PubChem CID:	11533717
Reduced:	N4O7C27H28 (1)
Stoich.:	A4B7C27D28 (1)
Weight, g/mol:	520.266125
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	6.51
IP(EA), eV:	-8.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[6-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]hexylidene]amino]oxyethanamine

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC)C2=CC(=O)C(=CC2=O)NC3=NC=NC4=CC(=C(C=C43)OC)OCCOC

DOS

IR

Vibrations