Geometry & MOs

Info

ID:	69885
PubChem CID:	47205691
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-145.93
Dipole, Da:	4.32
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations