Geometry & MOs

Info

ID:	227781
PubChem CID:	87562478
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	566.371973
ΔH_f, kcal/mol:	30.48
Dipole, Da:	4.76
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)NC1=C(C=C(C=N1)C(=O)NO)C2=CC=C(C=C2)C#CC3=CN=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations