Geometry & MOs

Info

ID:	146816
PubChem CID:	53754128
Reduced:	SO7C10H14 (1)
Stoich.:	AB7C10D14 (1)
Weight, g/mol:	143.131014
ΔH_f, kcal/mol:	-267.82
Dipole, Da:	4.17
IP(EA), eV:	-10.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(nitrosomethyl)heptane

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC(OC(=O)C(=C)C)S(=O)(=O)O

DOS

IR

Vibrations