Geometry & MOs

Info

ID:	299116
PubChem CID:	117671483
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	5.55
IP(EA), eV:	-9.56(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1R)-1-hydroxy-3-phenylpropyl]pent-4-enoate

Drug info:

PubChemData

Smile

C=CCC(C(CCC1=CC=CC=C1)C(=O)O)O

DOS

IR

Vibrations