Geometry & MOs

Info

ID:	179858
PubChem CID:	76544876
Reduced:	NSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	162.973746
ΔH_f, kcal/mol:	56.46
Dipole, Da:	5.21
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methylbut-2-enoate;zinc

Drug info:

PubChemData

Smile

CCC(=CC)C(C1=CC=CC=C1)N=C=S

DOS

IR

Vibrations