Geometry & MOs

Info

ID:	280601
PubChem CID:	103850120
Reduced:	N2F3O3C13H23 (1)
Stoich.:	A2B3C3D13E23 (1)
Weight, g/mol:	249.091355
ΔH_f, kcal/mol:	-342.32
Dipole, Da:	3.05
IP(EA), eV:	-10.01(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorobenzaldehyde

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations