Geometry & MOs

Info

ID:	315488
PubChem CID:	126627096
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	342.209599
ΔH_f, kcal/mol:	-138.19
Dipole, Da:	2.52
IP(EA), eV:	-9.29(1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-8-[(3E,5Z)-octa-1,3,5-trien-3-yl]-4,7-diazatricyclo[10.5.0.03,9]heptadeca-1(12),3(9),7,10,13,16-hexaene

Drug info:

PubChemData

Smile

CCO[C@H]1[C@@H](C[C@@H]([C@H]1OC)O)N

DOS

IR

Vibrations