Geometry & MOs

Info

ID:	298535
PubChem CID:	117650633
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-195.34
Dipole, Da:	2.66
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(3,4-dimethoxyphenyl)-3-(methylamino)butan-2-one

Drug info:

PubChemData

Smile

CCCOC(=O)CN(CC(=O)O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations