Geometry & MOs

Info

ID:	150913
PubChem CID:	53790610
Reduced:	ClN2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	136.125201
ΔH_f, kcal/mol:	82.35
Dipole, Da:	2.22
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3a,4,5,6,7,8,8a-octahydroazulene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN=NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations