Geometry & MOs

Info

ID:	216086
PubChem CID:	85085689
Reduced:	IOC6H9 (1)
Stoich.:	ABC6D9 (1)
Weight, g/mol:	223.02079
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	2.54
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-bromohexanoate

Drug info:

PubChemData

Smile

C=CCC(=CI)CO

DOS

IR

Vibrations