Geometry & MOs

Info

ID:	373868
PubChem CID:	131320813
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	273.01645
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	3.77
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-fluorophenol

Drug info:

PubChemData

Smile

CC(COC1=CC=C(C=C1)O)(C#N)O

DOS

IR

Vibrations