Geometry & MOs

Info

ID:	388066
PubChem CID:	134988034
Reduced:	BrNO3C8H12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-135.81
Dipole, Da:	4.21
IP(EA), eV:	-10.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-2-amino-3-hydroxy-5-methylhex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C)(N=C=O)Br

DOS

IR

Vibrations