Geometry & MOs

Info

ID:	47886
PubChem CID:	10535741
Reduced:	O5C8H16 (1)
Stoich.:	A5B8C16 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-233.54
Dipole, Da:	2.51
IP(EA), eV:	-10.41(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1-hydroxyprop-2-enyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(=O)OC)O)OCOC

DOS

IR

Vibrations