Geometry & MOs

Info

ID:	398082
PubChem CID:	135031655
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	232.219101
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	10.82
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1-but-3-enyl-2-oct-1-en-4-ylidenecyclopentane

Drug info:

PubChemData

Smile

CC1C(=O)C(=C2N1CCN(CN2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations