Geometry & MOs

Info

ID:	197876
PubChem CID:	79008887
Reduced:	BrO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	183.08079
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	3.98
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(5-fluoropyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(CC2=C(C=CC(=C2)OC)Br)O

DOS

IR

Vibrations