Geometry & MOs

Info

ID:	62254
PubChem CID:	26718630
Reduced:	N3O6C22H27 (1)
Stoich.:	A3B6C22D27 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-174.58
Dipole, Da:	1.68
IP(EA), eV:	-8.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OCC(=O)N)OC

DOS

IR

Vibrations