Geometry & MOs

Info

ID:	182977
PubChem CID:	76965503
Reduced:	O6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	114.06808
ΔH_f, kcal/mol:	-249.39
Dipole, Da:	3.08
IP(EA), eV:	-10.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-methylpent-3-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)O[C@H]1[C@H]([C@@H]([C@H](C=C1C=O)O)O)O

DOS

IR

Vibrations