Geometry & MOs

Info

ID:	227878
PubChem CID:	87562818
Reduced:	O2N3H13C19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	196.88822
ΔH_f, kcal/mol:	96.52
Dipole, Da:	2.96
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C#CC2=CC=C(C=C2)C3=CC(=CN=C3)C(=O)NO

DOS

IR

Vibrations