Geometry & MOs

Info

ID:	796
PubChem CID:	3365
Reduced:	OF2N6H12C13 (1)
Stoich.:	AB2C6D12E13 (1)
Weight, g/mol:	306.104065
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	4.16
IP(EA), eV:	-10.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

DOS

IR

Vibrations