Geometry & MOs

Info

ID:	227218
PubChem CID:	87560682
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-235.23
Dipole, Da:	5.88
IP(EA), eV:	-10.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-isocyanato-2-methylpropyl) (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(=O)CCOC(=O)CCC(=O)O

DOS

IR

Vibrations