Geometry & MOs

Info

ID:	375219
PubChem CID:	131480928
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	274.99572
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	2.92
IP(EA), eV:	-8.96(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(3-bromo-4-fluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2CCC(CC2)CN

DOS

IR

Vibrations