Geometry & MOs

Info

ID:	151090
PubChem CID:	53790788
Reduced:	ON4H28C33 (1)
Stoich.:	AB4C28D33 (1)
Weight, g/mol:	169.048741
ΔH_f, kcal/mol:	111.52
Dipole, Da:	3.37
IP(EA), eV:	-7.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-cyano-2-(methylamino)-2-oxoethylidene]amino] acetate

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2C)N5C=C6C=CC=CC6=C5O

DOS

IR

Vibrations