Geometry & MOs

Info

ID:	28760
PubChem CID:	829409
Reduced:	BrN4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	119.34
Dipole, Da:	8.54
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC=C3Br

DOS

IR

Vibrations