Geometry & MOs

Info

ID:	345297
PubChem CID:	127269531
Reduced:	ClN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-149.75
Dipole, Da:	4.01
IP(EA), eV:	-8.43(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations