Geometry & MOs

Info

ID:	297560
PubChem CID:	117621757
Reduced:	O3N4C30H32 (1)
Stoich.:	A3B4C30D32 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	2.47
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibutyl-3,8-dioxatricyclo[5.1.0.02,4]octane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC34C(=O)N(C(=N4)NC)C)C5=CC=CC=C5

DOS

IR

Vibrations