Geometry & MOs

Info

ID:	424106
PubChem CID:	135121335
Reduced:	O2C13H22 (2)
Stoich.:	A2B13C22 (2)
Weight, g/mol:	260.091009
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	4.52
IP(EA), eV:	-9.53(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-4-methylsulfonylphenyl) N-(trideuteriomethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCC1=CCC(CC1)C=O)O.CC(C)(CCCC1=CCCC(C1)C=O)O

DOS

IR

Vibrations