Geometry & MOs

Info

ID:	396406
PubChem CID:	135028292
Reduced:	OSC6H10 (1)
Stoich.:	ABC6D10 (1)
Weight, g/mol:	395.163377
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	2.66
IP(EA), eV:	-8.68(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(E)-1,3-diphenylprop-2-enyl]triazol-4-yl]methoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1CC2CCS[C@@H]1O2

DOS

IR

Vibrations