Geometry & MOs

Info

ID:	213834
PubChem CID:	81065174
Reduced:	BrNO5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-194.53
Dipole, Da:	2.21
IP(EA), eV:	-9.2(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-butylphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations