Geometry & MOs

Info

ID:	269259
PubChem CID:	103616623
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	4.59
IP(EA), eV:	-9.96(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C(C)C

DOS

IR

Vibrations