Geometry & MOs

Info

ID:	180983
PubChem CID:	76713704
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	552.392708
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	4.12
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(butylaminomethyl)-3-cyclohexylpropyl]-4-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)C(=O)CC(CC2CCCCC2)CN(C)C

DOS

IR

Vibrations