Geometry & MOs

Info

ID:	427014
PubChem CID:	135155022
Reduced:	O2N8C23H28 (1)
Stoich.:	A2B8C23D28 (1)
Weight, g/mol:	254.032142
ΔH_f, kcal/mol:	11.07
Dipole, Da:	11.14
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NCCC3=NC=C(C=N3)N(C)C4=CC=C(C=C4)N

DOS

IR

Vibrations