Geometry & MOs

Info

ID:	396351
PubChem CID:	135028142
Reduced:	PO6N7C13H16 (1)
Stoich.:	AB6C7D13E16 (1)
Weight, g/mol:	421.179027
ΔH_f, kcal/mol:	-212.66
Dipole, Da:	1.5
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]triazol-4-yl]methoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CN(C=N1)P(=O)(O)OC[C@@H]2C(C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O

DOS

IR

Vibrations