Geometry & MOs

Info

ID:	323436
PubChem CID:	126674810
Reduced:	N3O16C30H57 (1)
Stoich.:	A3B16C30D57 (1)
Weight, g/mol:	346.150427
ΔH_f, kcal/mol:	-722.7
Dipole, Da:	7.18
IP(EA), eV:	-9.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1CC([C@H](C(O[C@H]1OCCOCCOCCNCCOCCOCCO[C@H]2C(CC([C@H](C(O2)CO)O)O)NC(=O)C)CO)O)O

DOS

IR

Vibrations