Geometry & MOs

Info

ID:	391748
PubChem CID:	135009196
Reduced:	N2O7H20C21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	791.335922
ΔH_f, kcal/mol:	-239.4
Dipole, Da:	2.67
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyren-1-yl-1-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazole

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C#CC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations