Geometry & MOs

Info

ID:	11521
PubChem CID:	117187
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-181.68
Dipole, Da:	2.64
IP(EA), eV:	-10.2(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-2-(hydroxymethyl)hexyl] N-ethylcarbamate

Drug info:

PubChemData

Smile

CCCCC(CC)(CO)COC(=O)NCC

DOS

IR

Vibrations