Geometry & MOs

Info

ID:	264372
PubChem CID:	103458117
Reduced:	ClN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	1.8
IP(EA), eV:	-9.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-phenyl-1-(3-phenyltriazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Cl)C(=O)C(C2=CC=CC=C2)O

DOS

IR

Vibrations