Geometry & MOs

Info

ID:	364284
PubChem CID:	127315383
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	399.182792
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	4.91
IP(EA), eV:	-9.11(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations