Geometry & MOs

Info

ID:	232070
PubChem CID:	87575370
Reduced:	NSeH5C9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	69.75
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-1(20),14,16,18-tetraen-17-yl 2-methoxyacetate

Drug info:

PubChemData

Smile

C1=CC(=C2C=C[Se]C2=C1)C#N

DOS

IR

Vibrations