Geometry & MOs

Info

ID:	449469
PubChem CID:	135298869
Reduced:	NO3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-154.34
Dipole, Da:	4.95
IP(EA), eV:	-9.0(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[4-(2-methylpyridin-4-yl)piperazin-1-yl]propyl]-6-oxaspiro[3.4]octan-5-one

Drug info:

PubChemData

Smile

CCC1(CC(OC1=O)CCN2CCC(CC2)C(C)(C3=CC=CC=C3)O)CC

DOS

IR

Vibrations