Geometry & MOs

Info

ID:	25246
PubChem CID:	621615
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	64.39
Dipole, Da:	3.23
IP(EA), eV:	-9.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-5-oxa-1,4-diazatricyclo[5.2.2.02,6]undecan-6-ol

Drug info:

PubChemData

Smile

C1CCC2(CC1)N=C3C(=[N+]2[O-])CCC4=[N+](ON=C43)[O-]

DOS

IR

Vibrations