Geometry & MOs

Info

ID:	26396
PubChem CID:	646586
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	5.29
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1,3-benzodioxol-5-yl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylpyridin-2-yl)butanediamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations