Geometry & MOs

Info

ID:	413675
PubChem CID:	135086624
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	354.110338
ΔH_f, kcal/mol:	-243.88
Dipole, Da:	1.64
IP(EA), eV:	-9.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1,3-benzodioxol-5-yl)-2,5-dioxo-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(=O)C1=CC(=CC=C1)OC)C(=O)OC

DOS

IR

Vibrations