Geometry & MOs

Info

ID:	318130
PubChem CID:	126649065
Reduced:	ClO3N5H12C14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	225.071368
ΔH_f, kcal/mol:	-8.27
Dipole, Da:	6.19
IP(EA), eV:	-9.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)COC2=CC(=NC3=NNN=C23)N)Cl

DOS

IR

Vibrations