Geometry & MOs

Info

ID:	194790
PubChem CID:	78589790
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-27.21
Dipole, Da:	5.49
IP(EA), eV:	-9.85(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C#N

DOS

IR

Vibrations