Geometry & MOs

Info

ID:	389479
PubChem CID:	134993191
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	2.39
IP(EA), eV:	-9.42(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S)-3-hydroxy-4-methoxyhex-5-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1CCCC[C@@]1(C2=CC=CC=C2)O

DOS

IR

Vibrations