Geometry & MOs

Info

ID:	147729
PubChem CID:	53787386
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	302.297351
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	3.48
IP(EA), eV:	-9.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hepta-1,5-dienyl-4-(4-propylcyclohexyl)cyclohexane

Drug info:

PubChemData

Smile

CCCCCCCCCCNC(=O)C=CC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations