Geometry & MOs

Info

ID:	74882
PubChem CID:	48422638
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	388.126835
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	5.92
IP(EA), eV:	-8.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCCC2=O)OCC3CC3

DOS

IR

Vibrations