Geometry & MOs

Info

ID:	220613
PubChem CID:	85198010
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	340.152203
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	4.49
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-7a-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,4-dioxo-3,3a,6,7-tetrahydro-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CC1C(C1C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC)CO

DOS

IR

Vibrations