Geometry & MOs

Info

ID:	213382
PubChem CID:	81063585
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC(=CC=C1)OC

DOS

IR

Vibrations