Geometry & MOs

Info

ID:	184230
PubChem CID:	77130613
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	293.96515
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	2.9
IP(EA), eV:	-8.38(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-amino-2-hydroxyethyl)-4-bromo-3-fluoro-2-nitrophenol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C(=C(C=C2)C(CO)N)Cl)Cl

DOS

IR

Vibrations