Geometry & MOs

Info

ID:	66154
PubChem CID:	46500025
Reduced:	N2O2F3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	464.05561
ΔH_f, kcal/mol:	-211.34
Dipole, Da:	11.39
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-ethyltriazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)N3CCCCCC3)C(=O)C(F)(F)F

DOS

IR

Vibrations