Geometry & MOs

Info

ID:	271976
PubChem CID:	103707723
Reduced:	BrClNOSC12H17 (1)
Stoich.:	ABCDEF12G17 (1)
Weight, g/mol:	344.95898
ΔH_f, kcal/mol:	-43.07
Dipole, Da:	4.14
IP(EA), eV:	-8.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-chlorophenyl)methylamino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)Cl)Br)(CSC)O

DOS

IR

Vibrations