Geometry & MOs

Info

ID:	186385
PubChem CID:	77426128
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	7.68
IP(EA), eV:	-8.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-ethylphenyl)-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C2NC(NN2)NC(=O)N)C(=CC1=O)O

DOS

IR

Vibrations