Geometry & MOs

Info

ID:	292003
PubChem CID:	114007030
Reduced:	N3O4C10H19 (1)
Stoich.:	A3B4C10D19 (1)
Weight, g/mol:	316.00587
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	1.5
IP(EA), eV:	-9.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)carbamoylamino]-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

COCCOCCC1=NOC(=N1)C(CCN)O

DOS

IR

Vibrations