Geometry & MOs

Info

ID:	128496
PubChem CID:	51047102
Reduced:	NOBr2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	14.61
Dipole, Da:	6.4
IP(EA), eV:	-8.51(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-ethoxy-6-[(3-fluoro-4-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/C=C\2/C=C(C=CC2=O)Br)Br

DOS

IR

Vibrations