Geometry & MOs

Info

ID:	75925
PubChem CID:	48424168
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	2.79
IP(EA), eV:	-9.19(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CCC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations