Geometry & MOs

Info

ID:	319879
PubChem CID:	126657446
Reduced:	O2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	466.194023
ΔH_f, kcal/mol:	-227.15
Dipole, Da:	2.52
IP(EA), eV:	-10.54(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N'-[2-(3,5-dimethylmorpholin-4-yl)acetyl]-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

CCCCC(CC(C)(CC(=O)O)O)O

DOS

IR

Vibrations