Geometry & MOs

Info

ID:	44180
PubChem CID:	10501486
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	406.147747
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	4.09
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(3-aminopropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanoic acid;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CN2CCC(CC2)(C3=CC=CC=C3)O

DOS

IR

Vibrations