Geometry & MOs

Info

ID:	298578
PubChem CID:	117651301
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	332.060695
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	2.19
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-10-(2-fluorophenyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CC2=NN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations