Geometry & MOs

Info

ID:	279865
PubChem CID:	103845381
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	5.35
IP(EA), eV:	-9.35(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-(cyclohexylamino)-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2CN(C[C@@H]2OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations