Geometry & MOs

Info

ID:	279868
PubChem CID:	103845411
Reduced:	O3N4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	310.200491
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	4.06
IP(EA), eV:	-9.08(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methoxy-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CNC2CN(C[C@@H]2OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations