Geometry & MOs

Info

ID:	227292
PubChem CID:	87561093
Reduced:	H2Li2C3O5 (1)
Stoich.:	A2B2C3D5 (1)
Weight, g/mol:	388.320212
ΔH_f, kcal/mol:	-287.21
Dipole, Da:	7.15
IP(EA), eV:	-9.65(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-[(1E)-cycloocten-1-yl]-1,4,5,6,7,8-hexahydrodiazocine;(5,6-dimethyl-1,4-diazabicyclo[2.2.2]oct-5-en-2-yl)methanol

Drug info:

PubChemData

Smile

[Li+].[Li+].C(C(=O)[O-])(C(=O)[O-])O

DOS

IR

Vibrations