Geometry & MOs

Info

ID:	28373
PubChem CID:	827243
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	1.26
IP(EA), eV:	-8.49(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC[C@H](C)CNC

DOS

IR

Vibrations