Geometry & MOs

Info

ID:	83852
PubChem CID:	49861816
Reduced:	O3N8C27H48 (1)
Stoich.:	A3B8C27D48 (1)
Weight, g/mol:	349.205153
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.34
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,17-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadecane;dihydrochloride

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(C3CCC(CC3N2)[N+](=O)[O-])NC4CCC(CC4)NC(=O)NC5CCC(CC5)N=C(N)N

DOS

IR

Vibrations