Geometry & MOs

Info

ID:	395272
PubChem CID:	135025054
Reduced:	O5H28C32 (1)
Stoich.:	A5B28C32 (1)
Weight, g/mol:	144.056172
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	4.79
IP(EA), eV:	-8.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-phenyl-1,3-diaza-2-azanidacyclopenta-3,5-diene

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC(=C(C=C2C3=CC(=C(C=C13)OCC4=CC=CC=C4)OC)OC)OCC5=CC=CC=C5

DOS

IR

Vibrations