Geometry & MOs

Info

ID:	413060
PubChem CID:	135086004
Reduced:	ClNF3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	312.084517
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	4.45
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 1-O,1-O-dimethyl 2-(furan-2-yl)-3-oxopropane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=N)C2=C(C(=CC=C2)C(F)(F)F)Cl

DOS

IR

Vibrations