Geometry & MOs

Info

ID:	155072
PubChem CID:	56320646
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	25.97
Dipole, Da:	3.31
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)NC(=O)NCCC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations