Geometry & MOs

Info

ID:	354838
PubChem CID:	127287598
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	0.57
IP(EA), eV:	-9.26(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-adamantyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CNC(=O)C1CCCCC1C(=O)N2CCCC2

DOS

IR

Vibrations