Geometry & MOs

Info

ID:	385180
PubChem CID:	134978463
Reduced:	NCl2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	14.61
Dipole, Da:	2.67
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(2,6-dimethylphenyl)-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=NC2=C(C=CC=C2Cl)Cl)C(=C1CC)CC)CC

DOS

IR

Vibrations