Geometry & MOs

Info

ID:	180315
PubChem CID:	76614177
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	3.63
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylamino)propan-2-yl 2-(2-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)C)SCCN)O

DOS

IR

Vibrations