Geometry & MOs

Info

ID:	198040
PubChem CID:	79035555
Reduced:	ClNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	232.076039
ΔH_f, kcal/mol:	7.67
Dipole, Da:	4.95
IP(EA), eV:	-9.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC#CCOC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations