Geometry & MOs

Info

ID:	387170
PubChem CID:	134984280
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	16.55
Dipole, Da:	0.46
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrosoheptan-4-yl benzoate

Drug info:

PubChemData

Smile

CC[C@@](C)([C@@H](C)N=O)N=O

DOS

IR

Vibrations