Geometry & MOs

Info

ID:	200027
PubChem CID:	79334555
Reduced:	OSN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	9.37
Dipole, Da:	4.83
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenyltriazol-4-yl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(N12)C=CCO)C

DOS

IR

Vibrations