Geometry & MOs

Info

ID:	225417
PubChem CID:	85756825
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	3.42
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrohept-6-enylbenzene

Drug info:

PubChemData

Smile

CC(CC(CCCC1=CC=CC=C1)[N+](=O)[O-])(C2=CC=CC=C2)OC

DOS

IR

Vibrations