Geometry & MOs

Info

ID:	261089
PubChem CID:	103216784
Reduced:	O2F4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	411.98394
ΔH_f, kcal/mol:	-284.96
Dipole, Da:	2.93
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-2-(1-methylindazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(COCC(F)(F)F)O

DOS

IR

Vibrations