Geometry & MOs

Info

ID:	405234
PubChem CID:	135073075
Reduced:	ClNOF3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	2.84
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2E,3E)-2-[2-(cyclopenten-1-yl)-2-oxoethylidene]-3-(dimethylaminomethylidene)butanedioate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC=CC=C2N=C(C(F)(F)F)Cl

DOS

IR

Vibrations