Geometry & MOs

Info

ID:	47968
PubChem CID:	10536075
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	201.095378
ΔH_f, kcal/mol:	44.79
Dipole, Da:	6.41
IP(EA), eV:	-9.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C(=CN=N1)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations