Geometry & MOs

Info

ID:	150120
PubChem CID:	53789806
Reduced:	O5C11H14 (2)
Stoich.:	A5B11C14 (2)
Weight, g/mol:	453.218305
ΔH_f, kcal/mol:	-410.48
Dipole, Da:	5.64
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-benzylidenecyclohexylidene)amino]oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=C(C(=O)OC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O

DOS

IR

Vibrations