Geometry & MOs

Info

ID:	407351
PubChem CID:	135079898
Reduced:	NF2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	0.04
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(2-methylprop-2-enoxy)but-2-ynoxy]but-2-ynoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)/C=N/N=C/C2=C(C=CC=C2F)F)F

DOS

IR

Vibrations