Geometry & MOs

Info

ID:	396339
PubChem CID:	135028096
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	158.100346
ΔH_f, kcal/mol:	15.25
Dipole, Da:	2.45
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2N1C3=CC=CC=C3C4=NC=CN4C2

DOS

IR

Vibrations