Geometry & MOs

Info

ID:	36847
PubChem CID:	8013726
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	429.215138
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	0.85
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(C=CC(=C2)C)C)/C#N

DOS

IR

Vibrations