Geometry & MOs

Info

ID:	32787
PubChem CID:	7848428
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	335.136887
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	2.98
IP(EA), eV:	-9.38(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CCC(C)C

DOS

IR

Vibrations