Geometry & MOs

Info

ID:	75415
PubChem CID:	48423446
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	389.198442
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	3.94
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=C(O1)Br)OCC2CC2

DOS

IR

Vibrations