Geometry & MOs

Info

ID:	411801
PubChem CID:	135084646
Reduced:	O4N5C49H55 (1)
Stoich.:	A4B5C49D55 (1)
Weight, g/mol:	1015.22903
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	2.45
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC[C@H]1CC2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC

DOS

IR

Vibrations