Geometry & MOs

Info

ID:	375250
PubChem CID:	131481077
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	276.97498
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	3.52
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(3-bromo-5-fluoro-2-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOC1=C2[C@H](CCOC2=C(C=C1)Br)N

DOS

IR

Vibrations