Geometry & MOs

Info

ID:	345470
PubChem CID:	127269770
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	7.25
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations