Geometry & MOs

Info

ID:	398659
PubChem CID:	135034612
Reduced:	BrN3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	7.06
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2Z)-3-methylidene-2-(3-phenylpropylidene)hex-4-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=CC=C1)OC(=O)C)C2=CN(N=N2)C3=CC=CC=C3Br

DOS

IR

Vibrations