Geometry & MOs

Info

ID:	149066
PubChem CID:	53788737
Reduced:	SN4O4C12H18 (1)
Stoich.:	AB4C4D12E18 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-91.99
Dipole, Da:	4.71
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl] propaneperoxoate

Drug info:

PubChemData

Smile

COC1=CN=C(N=C1OC(=O)NN2CCOCC2)CSC

DOS

IR

Vibrations