Geometry & MOs

Info

ID:	146429
PubChem CID:	53687547
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	0.98
Dipole, Da:	9.86
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,7-trimethyl-3-methylideneundeca-4,6,8-trienoic acid

Drug info:

PubChemData

Smile

CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])N2CCOCC2

DOS

IR

Vibrations