Geometry & MOs

Info

ID:	159540
PubChem CID:	57288433
Reduced:	NSO4C5H11 (1)
Stoich.:	ABC4D5E11 (1)
Weight, g/mol:	304.276616
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	3.98
IP(EA), eV:	-9.88(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylhexoxy)-2-octylbenzene

Drug info:

PubChemData

Smile

C(CS(=O)(=O)CCOC=O)N

DOS

IR

Vibrations