Geometry & MOs

Info

ID:	144477
PubChem CID:	53375559
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	3.35
IP(EA), eV:	-9.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-3-hydroxy-2-methyl-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

C1C[C@H]2CC(=N[C@H]2C1)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations