Geometry & MOs

Info

ID:	188647
PubChem CID:	77747480
Reduced:	O3N6C28H38 (1)
Stoich.:	A3B6C28D38 (1)
Weight, g/mol:	305.99169
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	4.19
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-iodo-1,3,3-trimethyl-2-benzofuran

Drug info:

PubChemData

Smile

CCCN1CC(NCC1(C)C(C2=CC=C(C=C2)C3=NN(N=N3)CCCCC(=O)O)C4=CC(=CC=C4)O)C

DOS

IR

Vibrations