Geometry & MOs

Info

ID:	177867
PubChem CID:	76246329
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	428.267508
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	3.21
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CC1CCCCC1)C(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations