Geometry & MOs

Info

ID:	313070
PubChem CID:	126611591
Reduced:	NO5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	331.088768
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	7.79
IP(EA), eV:	-9.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methoxyethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations