Geometry & MOs

Info

ID:	19436
PubChem CID:	563645
Reduced:	NO9C35H35 (1)
Stoich.:	AB9C35D35 (1)
Weight, g/mol:	613.231182
ΔH_f, kcal/mol:	-184.22
Dipole, Da:	4.32
IP(EA), eV:	-9.28(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations