Geometry & MOs

Info

ID:	430069
PubChem CID:	135170126
Reduced:	ON4H12C17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	396.195011
ΔH_f, kcal/mol:	76.11
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylspiro[6-azatetracyclo[6.3.1.03,10.05,10]dodecane-7,2'-[1,4]oxazino[2,3-f][1,10]phenanthroline]

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3(N2)C=NC4=C(O3)C=CC5=C4C=NC=C5

DOS

IR

Vibrations