Geometry & MOs

Info

ID:	188662
PubChem CID:	77751389
Reduced:	N3O6C41H51 (1)
Stoich.:	A3B6C41D51 (1)
Weight, g/mol:	307.103142
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	3.25
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-phenylbutanoate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCN(C1=CC=C(C=C1)C(CCNCC(COC2=CC=CC=C2)O)(CC3=CC=CC=C3)C4=CC=C(C=C4)N(CCC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations