Geometry & MOs

Info

ID:	276162
PubChem CID:	103821020
Reduced:	ClN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	368.10994
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	3.5
IP(EA), eV:	-9.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations