Geometry & MOs

Info

ID:	213418
PubChem CID:	81063645
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-163.58
Dipole, Da:	5.73
IP(EA), eV:	-9.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN1C=C(C=CC1=O)Br

DOS

IR

Vibrations