Geometry & MOs

Info

ID:	30998
PubChem CID:	854065
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	-4.52
Dipole, Da:	3.41
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(C(=S)N1)C2=CC=CC=C2

DOS

IR

Vibrations