Geometry & MOs

Info

ID:	336646
PubChem CID:	127255653
Reduced:	ClN2O3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-161.62
Dipole, Da:	1.31
IP(EA), eV:	-9.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1R)-1-amino-2-hydroxyethyl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC(=C1)[C@H](CO)N.Cl

DOS

IR

Vibrations