Geometry & MOs

Info

ID:	74510
PubChem CID:	48421979
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	290.130028
ΔH_f, kcal/mol:	-197.96
Dipole, Da:	3.81
IP(EA), eV:	-9.28(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations