Geometry & MOs

Info

ID:	392060
PubChem CID:	135012510
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	622.360574
ΔH_f, kcal/mol:	15.89
Dipole, Da:	4.14
IP(EA), eV:	-9.4(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC(=O)C3=C(C2=O)C=CC=N3

DOS

IR

Vibrations