Geometry & MOs

Info

ID:	184135
PubChem CID:	77115644
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	20.3
Dipole, Da:	3.87
IP(EA), eV:	-8.69(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-(5-phenyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1C=CC=C2C1=NC=C3C2=NN(C3=O)C

DOS

IR

Vibrations