Geometry & MOs

Info

ID:	213383
PubChem CID:	81063586
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-169.58
Dipole, Da:	1.64
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=CC(=C(C=C1)OC)Br

DOS

IR

Vibrations