Geometry & MOs

Info

ID:	441542
PubChem CID:	135236011
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	208.064354
ΔH_f, kcal/mol:	-180.6
Dipole, Da:	2.8
IP(EA), eV:	-9.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butylprop-2-enamide;hydrogen sulfite

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(OC(C1O)C)C

DOS

IR

Vibrations