Geometry & MOs

Info

ID:	387376
PubChem CID:	134985140
Reduced:	N2O8C21H32 (1)
Stoich.:	A2B8C21D32 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-289.72
Dipole, Da:	4.6
IP(EA), eV:	-9.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-nitronon-3-ene

Drug info:

PubChemData

Smile

CC1(N([C@H](CO1)[C@H]([C@@H]([C@@H](CO)OCC2=CC=CC=C2)O)[N+](=O)[O-])C(=O)OC(C)(C)C)C

DOS

IR

Vibrations