Geometry & MOs

Info

ID:	337685
PubChem CID:	127258308
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	168.053492
ΔH_f, kcal/mol:	52.58
Dipole, Da:	9.6
IP(EA), eV:	-7.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-oxo-2-prop-2-ynoxyiminobutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=CC2=N/C(=C\3/C=CNN3)/C=C21

DOS

IR

Vibrations