Geometry & MOs

Info

ID:	180474
PubChem CID:	76639028
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	382.141876
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	2.42
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(2,2-dimethylpropyl)-3-aza-7-azanidabicyclo[3.3.1]nonane;rhenium

Drug info:

PubChemData

Smile

CC(C)C(C)(C1=CC=C(C=C1)C(=NOC(=O)COC(=O)C)N)C2=NC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations