Geometry & MOs

Info

ID:	272309
PubChem CID:	103739025
Reduced:	NBr2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	1.58
IP(EA), eV:	-9.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methoxy-3-nitropyridin-2-yl)amino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C1=CC(=C(C=C1)Br)Br)N

DOS

IR

Vibrations