Geometry & MOs

Info

ID:	448410
PubChem CID:	135290707
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	259.036874
ΔH_f, kcal/mol:	63.95
Dipole, Da:	4.08
IP(EA), eV:	-9.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(difluoromethyl)triazol-4-yl]-2,6-difluorobenzaldehyde

Drug info:

PubChemData

Smile

C#CC1=CN=C(C=C1)C2CC3(C2)COC3

DOS

IR

Vibrations