Geometry & MOs

Info

ID:	74751
PubChem CID:	48422406
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	388.126835
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	4.77
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C2=NN=C3N2CCCCC3)OCC4CC4

DOS

IR

Vibrations