Geometry & MOs

Info

ID:	435029
PubChem CID:	135178015
Reduced:	NC14H23 (1)
Stoich.:	AB14C23 (1)
Weight, g/mol:	430.124132
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	2.46
IP(EA), eV:	-8.79(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[4-[5-(4-fluoro-3-methylphenoxy)quinolin-2-yl]triazol-1-yl]phenol

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)C)CC(C)(C)C)C

DOS

IR

Vibrations