Geometry & MOs

Info

ID:	36927
PubChem CID:	8014898
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	1.68
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations