Geometry & MOs

Info

ID:	75288
PubChem CID:	48423282
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	342.116877
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	3.02
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl)OCC3CC3

DOS

IR

Vibrations