Geometry & MOs

Info

ID:	206329
PubChem CID:	80232373
Reduced:	BrN4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	254.057693
ΔH_f, kcal/mol:	45.82
Dipole, Da:	1.9
IP(EA), eV:	-8.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC2=NN3C=C(C=CC3=N2)Br

DOS

IR

Vibrations