Geometry & MOs

Info

ID:	47845
PubChem CID:	10535601
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-211.54
Dipole, Da:	3.53
IP(EA), eV:	-10.14(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(methoxymethoxy)-4-oxohex-2-enoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)O[C@H]2[C@@H](O1)OCCO2)C

DOS

IR

Vibrations