Geometry & MOs

Info

ID:	217200
PubChem CID:	85087413
Reduced:	FO9C13H23 (1)
Stoich.:	AB9C13D23 (1)
Weight, g/mol:	342.110338
ΔH_f, kcal/mol:	-452.97
Dipole, Da:	1.81
IP(EA), eV:	-10.26(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[acetyloxy(naphthalen-1-yl)methyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC)CO)F)O)O)O)O

DOS

IR

Vibrations