Geometry & MOs

Info

ID:	372117
PubChem CID:	131293379
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-125.36
Dipole, Da:	3.27
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-amino(cyclopropyl)methyl]-4-bromo-3-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1COCCC1[C@H](C2=CC(=CC(=C2)O)O)N

DOS

IR

Vibrations