Geometry & MOs

Info

ID:	350881
PubChem CID:	127279169
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	1.62
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)amino]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCCC4

DOS

IR

Vibrations