Geometry & MOs

Info

ID:	48099
PubChem CID:	10537152
Reduced:	BrOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	225.07661
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	1.92
IP(EA), eV:	-9.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-5-methoxy-5-oxopentyl]-methoxyphosphinic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C1=O)C=CC=C2Br

DOS

IR

Vibrations