Geometry & MOs

Info

ID:	137419
PubChem CID:	52205957
Reduced:	BrClNOF3H8C14 (1)
Stoich.:	ABCDE3F8G14 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	0.79
IP(EA), eV:	-8.97(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC=C2C=C(C=CC2=O)Br)C(F)(F)F)Cl

DOS

IR

Vibrations