Geometry & MOs

Info

ID:	150648
PubChem CID:	53790342
Reduced:	O5C29H44 (1)
Stoich.:	A5B29C44 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-243.96
Dipole, Da:	2.96
IP(EA), eV:	-8.96(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpentoxy)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)[C@@H](C=CC(=C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3)O)O)C)O

DOS

IR

Vibrations