Geometry & MOs

Info

ID:	314731
PubChem CID:	126622891
Reduced:	BrO3N7H26C27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	3.88
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibutyl-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCCC[C@@H]4C(=O)NC5=NC(=CC=C5)Br

DOS

IR

Vibrations