Geometry & MOs

Info

ID:	179564
PubChem CID:	76500889
Reduced:	NSO2C26H33 (1)
Stoich.:	ABC2D26E33 (1)
Weight, g/mol:	513.231368
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	2.21
IP(EA), eV:	-8.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperazin-1-yl)-2-methylpropoxy]-6-[(2,4-dichlorophenyl)methylidene]-2-methylcyclohexen-1-amine

Drug info:

PubChemData

Smile

COC=CCC1C(CCC1OCC2=CC=C(C=C2)C3=CC=CC=C3)N4CCSCC4

DOS

IR

Vibrations