Geometry & MOs

Info

ID:	131027
PubChem CID:	51147273
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	4.6
IP(EA), eV:	-8.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations