Geometry & MOs

Info

ID:	380706
PubChem CID:	134971233
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	3.23
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-4,5-dihydroxypent-1-en-3-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC[C@@H]([C@@H]2[C@H]1C[C@@H](OC2=O)C3(C=CC(=O)O3)C)C(C)C

DOS

IR

Vibrations