Geometry & MOs

Info

ID:	186473
PubChem CID:	77438598
Reduced:	N4O4H28C29 (1)
Stoich.:	A4B4C28D29 (1)
Weight, g/mol:	291.071842
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	5.23
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxyamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)NC(C2=CC=CC=C2)C(C3=CN=CC=C3)(C4=CN=CC=C4)O)NC(=O)O

DOS

IR

Vibrations