Geometry & MOs

Info

ID:	271596
PubChem CID:	103685232
Reduced:	ClNOSC13H14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	355.98303
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	1.97
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-nitrophenyl)methylamino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC(C2=CSC=C2)O)Cl

DOS

IR

Vibrations