Geometry & MOs

Info

ID:	380484
PubChem CID:	134970945
Reduced:	FO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	350.01676
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	2.37
IP(EA), eV:	-9.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-iodo-3,4-dihydro-1H-isochromene

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=C(C=C1)F)C(=C)C(=O)OC)C(=O)C

DOS

IR

Vibrations