Geometry & MOs

Info

ID:	169296
PubChem CID:	75085718
Reduced:	BrON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	12.95
Dipole, Da:	3.55
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1,2,4-oxadiazolidin-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CC(NN2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations