Geometry & MOs

Info

ID:	396532
PubChem CID:	135028673
Reduced:	O5C14H22 (1)
Stoich.:	A5B14C22 (1)
Weight, g/mol:	414.01168
ΔH_f, kcal/mol:	-238.23
Dipole, Da:	2.95
IP(EA), eV:	-9.85(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-2-iodo-1-phenylethenyl]naphthalen-2-yl] acetate

Drug info:

PubChemData

Smile

C/C=C\1/[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C

DOS

IR

Vibrations