Geometry & MOs

Info

ID:	375363
PubChem CID:	131500087
Reduced:	NOF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	273.9953
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	4.47
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C=C2CCOC2=C1F)F)N

DOS

IR

Vibrations