Geometry & MOs

Info

ID:	224296
PubChem CID:	85341191
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-240.45
Dipole, Da:	2.44
IP(EA), eV:	-9.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-8-(nitromethyl)tridec-5-ene

Drug info:

PubChemData

Smile

CC1CC(OC1C(=CC(=O)OC)C)CCCOCOC

DOS

IR

Vibrations