Geometry & MOs

Info

ID:	425817
PubChem CID:	135128145
Reduced:	F2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	226.062994
ΔH_f, kcal/mol:	89.73
Dipole, Da:	2.69
IP(EA), eV:	-8.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxetan-2-yl 3,5-diethynylbenzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=CC=CC(=C1)C2=C(C=C(C=C2)F)F)C3=CCC=CN=C3)N(C)C

DOS

IR

Vibrations