Geometry & MOs

Info

ID:	259202
PubChem CID:	103158588
Reduced:	BrO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	261.132471
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	5.83
IP(EA), eV:	-9.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)Br)OCC(CC2CCCC2)O

DOS

IR

Vibrations