Geometry & MOs

Info

ID:

358535

PubChem CID:

127296131

Reduced:

O2N5C15H25 (1)

Stoich.:

A2B5C15D25 (1)

Weight, g/mol:

282.169191

ΔHf, kcal/mol:

-43.81

Dipole, Da:

5.98

IP(EA), eV:

-8.98(-0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations