Geometry & MOs

Info

ID:	187595
PubChem CID:	77595343
Reduced:	F3N4O7C15H15 (1)
Stoich.:	A3B4C7D15E15 (1)
Weight, g/mol:	334.206388
ΔH_f, kcal/mol:	-395.61
Dipole, Da:	4.51
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-phenylpropyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC12C(C(OC1N3C=CC4=C(N=CN=C43)N)CO)OC(=O)O2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations