Geometry & MOs

Info

ID:	382171
PubChem CID:	134973145
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	366.160637
ΔH_f, kcal/mol:	-126.58
Dipole, Da:	4.09
IP(EA), eV:	-9.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-benzyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]-4-methylphenolate

Drug info:

PubChemData

Smile

C1COCC1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H]3CO3

DOS

IR

Vibrations