Geometry & MOs

Info

ID:	147138
PubChem CID:	53786791
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	126.115698
ΔH_f, kcal/mol:	-152.59
Dipole, Da:	5.27
IP(EA), eV:	-10.42(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,6,9-hexahydro-1H-1,3-diazonine

Drug info:

PubChemData

Smile

CC(CCCCCC=CC(=O)O)O

DOS

IR

Vibrations