Geometry & MOs

Info

ID:	83597
PubChem CID:	49858506
Reduced:	BrO2N4C27H27 (1)
Stoich.:	AB2C4D27E27 (1)
Weight, g/mol:	360.172545
ΔH_f, kcal/mol:	21.16
Dipole, Da:	7.11
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(furan-2-yl)buta-1,3-dienyl]-4-[2-(furan-2-yl)ethenyl]-1,5-dimethylbicyclo[3.2.1]oct-6-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCCC3=CN=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

DOS

IR

Vibrations