Geometry & MOs

Info

ID:	381645
PubChem CID:	134972442
Reduced:	O4C5H9 (2)
Stoich.:	A4B5C9 (2)
Weight, g/mol:	275.96473
ΔH_f, kcal/mol:	-349.42
Dipole, Da:	3.21
IP(EA), eV:	-10.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodomethylidene)-4,5,6,7-tetrahydro-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC(C(C=O)O)C(C(C(C(C(C=O)O)O)O)O)O

DOS

IR

Vibrations