Geometry & MOs

Info

ID:	406570
PubChem CID:	135078087
Reduced:	N3H11C12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	716.225762
ΔH_f, kcal/mol:	60.89
Dipole, Da:	1.57
IP(EA), eV:	-8.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[3,4,5-tribenzoyloxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CNC1=NC2=C(C=C1)C3=CC=CC=C3N2

DOS

IR

Vibrations