Geometry & MOs

Info

ID:	385043
PubChem CID:	134978195
Reduced:	BrNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	19.59
Dipole, Da:	4.58
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(quinoline-2-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)(C2=C(C=CC(=C2)C#N)Br)O

DOS

IR

Vibrations