Geometry & MOs

Info

ID:	312645
PubChem CID:	126607142
Reduced:	ClF2N4O4C31H31 (1)
Stoich.:	AB2C4D4E31F31 (1)
Weight, g/mol:	259.96981
ΔH_f, kcal/mol:	-214.01
Dipole, Da:	3.53
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3-methyl-1,3-dihydro-2-benzofuran

Drug info:

PubChemData

Smile

CC(C)CCCC(C1=NC=CC(=C1)C2=CC(=C(C=C2NC=O)N)C(=O)O)N3CCC(=CC3=O)C4=C(C=CC(=C4F)Cl)F

DOS

IR

Vibrations