Geometry & MOs

Info

ID:	263905
PubChem CID:	103406516
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	299.054691
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	2.42
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

COCCOCCCOCC1=C(OC2=CC=CC=C21)CN

DOS

IR

Vibrations