Geometry & MOs

Info

ID:	76145
PubChem CID:	48424503
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	3.43
IP(EA), eV:	-8.7(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CCN(C)C)OCC2CC2

DOS

IR

Vibrations