Geometry & MOs

Info

ID:	345452
PubChem CID:	127269752
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-123.44
Dipole, Da:	3.35
IP(EA), eV:	-9.54(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations