Geometry & MOs

Info

ID:	43110
PubChem CID:	10318627
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	6.12
IP(EA), eV:	-9.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)ethenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H](C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations