Geometry & MOs

Info

ID:	187699
PubChem CID:	77612354
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	318.119127
ΔH_f, kcal/mol:	-139.71
Dipole, Da:	5.01
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(trifluoromethyl)phenyl] 2-[(2-amino-3-methylbutanoyl)amino]acetate

Drug info:

PubChemData

Smile

CCOCCCN(CC1=CC2=C(CC(C2C(=O)N)O)C=C1)C(C)C

DOS

IR

Vibrations