Geometry & MOs

Info

ID:	231904
PubChem CID:	87574872
Reduced:	ON2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	439.122754
ΔH_f, kcal/mol:	3.94
Dipole, Da:	5.45
IP(EA), eV:	-10.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN=C=O.C1=CC=NC=C1

DOS

IR

Vibrations