Geometry & MOs

Info

ID:	76125
PubChem CID:	48424475
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	296.246378
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	4.62
IP(EA), eV:	-9.26(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2CCCC2)OCC3CC3

DOS

IR

Vibrations