Geometry & MOs

Info

ID:	402432
PubChem CID:	135055935
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	2.09
IP(EA), eV:	-9.42(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[(S)-(4-chlorophenyl)-hydroxymethyl]prop-2-enoate

Drug info:

PubChemData

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C1C[C@@H]([C@H]2C[C@H]2[C@H]1O)OCOCC3=CC=CC=C3

DOS

IR

Vibrations