Geometry & MOs

Info

ID:	320916
PubChem CID:	126664239
Reduced:	ClO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	247.98482
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	8.14
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-fluoro-6-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2O[C@H](C)C3CC(=O)N(C3)[C@@H](C)C4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations